3909 | MLS000331633 | C22H15NO5 | 373.364 | 6 / 0 | 3.9 | Yes |
5864 | MLS000557918 | C20H24N4O2 | 352.438 | 4 / 1 | 3.7 | Yes |
7215 | MLS000779074 | C20H19NO3 | 321.376 | 4 / 1 | 3.7 | Yes |
7493 | 2-Benzylidene-1,2-dihydro-indol-3-one | C15H11NO | 221.259 | 2 / 1 | 3.6 | Yes |
9189 | MLS000699016 | C11H12N2O3S3 | 316.408 | 7 / 1 | 2.0 | Yes |
9190 | MLS000703412 | C11H12N2O3S3 | 316.408 | 7 / 1 | 2.0 | Yes |
11299 | MLS000713029 | C18H23N3O3 | 329.4 | 5 / 1 | 3.1 | Yes |
15983 | (5Z)-5-(4-hydroxybenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one | C15H15NO3S2 | 321.409 | 5 / 1 | 3.0 | Yes |
17078 | SMR000118449 | C16H32N4O6 | 376.454 | 8 / 2 | -2.6 | Yes |
17220 | 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide | C23H16ClN3O5 | 449.847 | 5 / 1 | 4.1 | Yes |
17813 | SMR000129696 | C16H10F3N5OS3 | 441.465 | 11 / 2 | 4.7 | No |
17847 | MLS000689985 | C23H17NO4 | 371.392 | 4 / 1 | 4.2 | Yes |
18010 | MLS000028153 | C15H19N3 | 241.338 | 2 / 1 | 2.4 | Yes |
19242 | Nicotinamide_dinucleotide | C21H27N7O14P2 | 663.43 | 18 / 7 | -6.0 | No |
21239 | 708241-96-7 | C17H18BrN3O2 | 376.254 | 4 / 1 | 3.7 | Yes |
27232 | 2-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]aniline | C13H13N3O4 | 275.264 | 6 / 1 | 2.6 | Yes |
27237 | CHEMBL224730 | C23H32N9O5+ | 514.567 | 7 / 5 | -2.5 | No |
28299 | (2E,5E)-2,5-bis(2,4-dimethoxybenzylidene)cyclopentanone | C23H24O5 | 380.44 | 5 / 0 | 4.4 | Yes |
30573 | TCMDC-123502 | C18H21Cl2NO | 338.272 | 2 / 2 | 4.7 | Yes |
558273 | AC1NZ11R | C19H23N3O5S | 405.469 | 7 / 3 | 2.2 | Yes |
37855 | MLS000714665 | C17H19NO4S2 | 365.462 | 6 / 1 | 3.4 | Yes |
38550 | MLS000698167 | C22H24IN3O | 473.358 | 2 / 1 | N/A | N/A |
38832 | CHEMBL224655 | C21H32N6O4 | 432.525 | 5 / 4 | -0.4 | Yes |
41093 | MLS000554145 | C19H21N3OS | 339.457 | 3 / 1 | 3.6 | Yes |
41420 | 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine | C23H16N4 | 348.409 | 3 / 0 | 4.7 | Yes |
41898 | AM-1638 | C33H35FO4 | 514.637 | 5 / 1 | 7.8 | No |
42679 | MLS001033855 | C13H13BrFN3S | 342.23 | 4 / 2 | N/A | N/A |
43720 | MLS001018872 | C21H23N3O2 | 349.434 | 3 / 2 | 3.1 | Yes |
46256 | MLS000579119 | C18H15ClN2O4 | 358.778 | 5 / 1 | 3.1 | Yes |
52884 | CHEMBL1484167 | C26H29BrN2OS | 497.495 | 4 / 1 | N/A | N/A |
53688 | MLS000677316 | C17H11N3O5 | 337.291 | 6 / 1 | 2.5 | Yes |
53990 | SMR000043948 | C21H16N4O3S | 404.444 | 6 / 1 | 3.1 | Yes |
56351 | (6E)-5-imino-2-isobutyl-6-[(4-oxo-4H-chromen-3-yl)methylene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C19H16N4O3S | 380.422 | 6 / 1 | 3.1 | Yes |
57263 | (2-{[2-(4-Fluorophenyl)-1H-indol-3-yl]thio}ethyl)amine | C16H15FN2S | 286.368 | 3 / 2 | 3.4 | Yes |
58883 | SMR000105815 | C13H11F3N2O2 | 284.238 | 7 / 0 | 2.5 | Yes |
553552 | MeTRH | C17H24N6O4 | 376.417 | 5 / 3 | -2.3 | Yes |
61770 | MLS000778612 | C18H16N2O5S3 | 436.515 | 8 / 2 | 3.8 | Yes |
62495 | 1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline | C20H20N4 | 316.408 | 3 / 0 | 4.4 | Yes |
63943 | 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile | C20H13N3O2 | 327.343 | 4 / 1 | 4.8 | Yes |
65430 | MLS000082525 | C15H17N3O4S | 335.378 | 7 / 1 | 2.1 | Yes |
72117 | MLS000536105 | C17H11ClF3N3O3S2 | 461.858 | 10 / 2 | 5.2 | No |
72810 | MLS002157414 | C21H19N3O5S | 425.459 | 7 / 1 | 2.3 | Yes |
73031 | CHEMBL374625 | C20H29N5O4 | 403.483 | 5 / 3 | -0.9 | Yes |
73032 | CHEMBL224715 | C20H29N5O4 | 403.483 | 5 / 3 | -0.9 | Yes |
75541 | AC1O3J72 | C17H14N2O3S2 | 358.43 | 5 / 1 | 5.1 | No |
559646 | 6-bromo-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide | C17H15BrN4O3 | 403.236 | 5 / 2 | 3.7 | Yes |
77238 | MLS001116411 | C22H27ClFN3O2S | 451.985 | 6 / 1 | 4.6 | Yes |
77747 | MLS001173005 | C18H16N2O3 | 308.337 | 4 / 1 | 2.7 | Yes |
81463 | 3-(trifluoromethyl)benzo[g]quinoxalin-2-ol | C13H7F3N2O | 264.207 | 5 / 1 | 3.1 | Yes |
81984 | SMR000078105 | C16H12N4OS3 | 372.479 | 7 / 2 | 4.4 | Yes |
82518 | MLS000779148 | C16H9N3O4S | 339.325 | 6 / 2 | 1.5 | Yes |
85992 | BAS 00429920 | C22H20N2O4 | 376.412 | 5 / 1 | 3.1 | Yes |
88679 | MLS001166676 | C20H20N2O4 | 352.39 | 5 / 2 | 3.0 | Yes |
89104 | MLS000862743 | C22H35NO5S | 425.584 | 6 / 0 | 2.9 | Yes |
91572 | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)thio]-1H-pyrazol-5-yl acetate | C16H19N3O4S | 349.405 | 6 / 0 | 3.5 | Yes |
91619 | MLS000712878 | C19H18N2O5 | 354.362 | 5 / 2 | 2.9 | Yes |
560151 | 3-hydroxy-4-((E)-{[(5-methoxy-1-methyl-1H-indol-2-yl)carbonyl]hydrazono}methyl)-2-naphthoic acid | C23H19N3O5 | 417.421 | 6 / 3 | 4.2 | Yes |
99464 | ST041961 | C19H19NO2 | 293.366 | 3 / 0 | 2.8 | Yes |
99911 | MLS001100829 | C25H26FN3O3 | 435.499 | 6 / 1 | 4.0 | Yes |
100145 | MLS001207297 | C17H12N2O4S2 | 372.413 | 6 / 3 | 3.4 | Yes |
560536 | AC1OBEWP | C19H17N3O3 | 335.363 | 5 / 1 | 2.8 | Yes |
560589 | MLS000595131 | C23H23N3O4S | 437.514 | 6 / 2 | 3.7 | Yes |
108848 | 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide | C22H17ClFN3O2 | 409.845 | 4 / 1 | 5.7 | No |
110668 | AC1LTR2R | C19H16N2O6S2 | 432.465 | 8 / 3 | 3.4 | Yes |
113577 | CHEMBL223876 | C20H29N5O4 | 403.483 | 5 / 3 | -1.0 | Yes |
113578 | CHEMBL388350 | C20H29N5O4 | 403.483 | 5 / 3 | -1.0 | Yes |
116081 | MLS000586692 | C19H16N2O6S | 400.405 | 8 / 2 | 3.4 | Yes |
560947 | MLS001125585 | C16H11BrN2O3 | 359.179 | 4 / 2 | 4.1 | Yes |
117867 | MLS001199446 | C17H13FO5S | 348.344 | 6 / 1 | 3.4 | Yes |
118613 | CHEMBL388812 | C20H30N6O4 | 418.498 | 5 / 4 | -0.9 | Yes |
118878 | MLS000570530 | C18H15BrN2O4 | 403.232 | 5 / 3 | 4.0 | Yes |
119174 | N-{4-[1-benzoyl-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide | C25H25N3O5S | 479.551 | 7 / 1 | 3.3 | Yes |
119735 | N-(2-chlorobenzyl)-N'-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thiourea | C21H20ClN3S | 381.922 | 2 / 1 | 4.6 | Yes |
120605 | SMR000172341 | C19H13F3N2O4S | 422.378 | 9 / 2 | 3.5 | Yes |
561081 | AC1NSAWC | C18H15N3O3 | 321.336 | 5 / 3 | 1.8 | Yes |
125320 | AC1M3Q9P | C23H23ClN2O3S | 442.958 | 5 / 1 | 6.2 | No |
125530 | AC1O5PEJ | C22H25ClN2O3 | 400.903 | 4 / 1 | N/A | N/A |
129945 | CHEMBL389037 | C24H30N6O4 | 466.542 | 5 / 3 | 0.1 | Yes |
133533 | 1-(3-methoxyphenyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline | C23H24N4O | 372.472 | 3 / 1 | 3.4 | Yes |
133599 | 4-(benzofuran-2-carbonyl)-3-hydroxy-5-phenyl-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one | C22H14N2O4S | 402.424 | 6 / 1 | 4.6 | Yes |
133647 | MLS000777053 | C21H12N2O4S | 388.397 | 6 / 1 | 4.4 | Yes |
134394 | SMR000218862 | C22H16ClNO4 | 393.823 | 5 / 0 | 4.5 | Yes |
134459 | MLS001138759 | C28H30N4O6 | 518.57 | 7 / 2 | 3.4 | No |
137127 | Pyronin Y | C17H19ClN2O | 302.802 | 3 / 0 | N/A | N/A |
141166 | N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide | C19H17N5O | 331.379 | 4 / 2 | 3.3 | Yes |
145779 | NECA | C12H16N6O4 | 308.298 | 8 / 4 | -0.7 | Yes |
147955 | MLS000521066 | C20H21N3O2 | 335.407 | 3 / 1 | 2.9 | Yes |
148651 | 2-methylpropyl 6-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-3,4-dimethyl-2-oxo-1, 3,6-trihydropyrimidine-5-carboxylate | C18H21BrN2O5 | 425.279 | 5 / 1 | 3.0 | Yes |
151995 | MLS000580448 | C12H22N2OS | 242.381 | 2 / 1 | 2.4 | Yes |
155977 | MLS000775763 | C21H16F2N2O5S | 446.425 | 9 / 3 | 4.6 | Yes |
164810 | SMR000062009 | C20H18N6O3S | 422.463 | 7 / 3 | 2.1 | Yes |
168570 | SMR000147498 | C22H20ClN3OS2 | 441.992 | 5 / 1 | 6.2 | No |
170603 | 4-amino-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol | C10H12N4O2S | 252.292 | 5 / 2 | 0.9 | Yes |
171482 | MLS002162744 | C21H24N4O2 | 364.449 | 4 / 1 | 2.9 | Yes |
172774 | MLS000418558 | C28H35N5O3 | 489.62 | 6 / 1 | 2.4 | Yes |
174011 | SMR000078971 | C21H26N2O5S2 | 450.568 | 7 / 0 | 2.6 | Yes |
174252 | 3-(2-oxo-2-phenylethyl)quinoxalin-2(1h)-one | C16H12N2O2 | 264.284 | 3 / 1 | 2.2 | Yes |
177724 | CHEMBL389858 | C21H31N5O4 | 417.51 | 5 / 3 | -0.4 | Yes |
177725 | CHEMBL389955 | C21H31N5O4 | 417.51 | 5 / 3 | -0.4 | Yes |
177917 | MLS001215909 | C17H17IN2 | 376.241 | 1 / 1 | N/A | N/A |