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Name | MK-2894 |
---|---|
Molecular formula | C25H22F3NO3S |
IUPAC name | 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid |
Molecular weight | 473.51 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | CS-0679 MK2894 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid HY-10413 SCHEMBL2351863 [ Show all ] |
Inchi Key | QJZQFVRFJCGDKF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32) |
PubChem CID | 24952929 |
ChEMBL | CHEMBL597997 |
IUPHAR | 4041 |
BindingDB | 50308131 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417