
 CHEMBL104999

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.9692   -0.1905    0.1506 C   0  0  0  0  0
    2.4604   -0.0287    0.1320 C   0  0  0  0  0
    3.2070   -1.1621    0.1498 N   0  0  0  0  0
    4.5511   -1.0307    0.1334 C   0  0  0  0  0
    5.1793    0.2129    0.1007 C   0  0  0  0  0
    4.4067    1.3705    0.0861 C   0  0  0  0  0
    3.0213    1.2472    0.1021 C   0  0  0  0  0
    6.6567    0.2626    0.0882 C   0  0  0  0  0
    7.2617    1.3284    0.0669 O   0  0  0  0  0
    7.3965   -1.0240    0.1048 C   0  0  0  0  0
    6.6937   -2.1678    0.1377 C   0  0  0  0  0
    5.3226   -2.1908    0.1448 N   0  0  0  0  0
    7.3933   -3.4662    0.1416 C   0  0  0  0  0
    7.1044   -4.4248   -0.8378 C   0  0  0  0  0
    7.7579   -5.6620   -0.8373 C   0  0  0  0  0
    8.6755   -5.9848    0.1640 C   0  0  0  0  0
    9.0066   -5.0082    1.1054 C   0  0  0  0  0
    8.3564   -3.7690    1.1118 C   0  0  0  0  0
    9.4160   -7.1695    0.0867 N   0  0  0  0  0
    0.5251    0.2903   -0.7266 H   0  0  0  0  0
    0.5524    0.2584    1.0574 H   0  0  0  0  0
    0.6921   -1.2494    0.1347 H   0  0  0  0  0
    4.8769    2.3498    0.0627 H   0  0  0  0  0
    2.3926    2.1323    0.0910 H   0  0  0  0  0
    8.4769   -0.9701    0.0800 H   0  0  0  0  0
    4.8152   -3.0629    0.1989 H   0  0  0  0  0
    6.3866   -4.2075   -1.6259 H   0  0  0  0  0
    7.5425   -6.3721   -1.6314 H   0  0  0  0  0
    9.7745   -5.2041    1.8491 H   0  0  0  0  0
    8.6156   -3.0439    1.8801 H   0  0  0  0  0
    9.8091   -7.4655    0.9747 H   0  0  0  0  0
    8.9315   -7.9251   -0.3876 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 19 31  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL104999

>  <PubChem CID>
11311283

>  <Formula>
C15H13N3O

>  <Molecular Weight>
251.289000

>  <IUPAC Name>
2-(4-aminophenyl)-7-methyl-1H-1,8-naphthyridin-4-one

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)N

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)N

>  <InChI Std. ID>
InChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19)

>  <InChI Key>
CZXAHGMAYCNGTM-UHFFFAOYSA-N

