General Information of the Compound
| Compound ID |
CP0968398
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| Compound Name |
(5R,11aS)-5-(4-Fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]-indole-1,3(2H)-dione
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| Structure |
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| Formula |
C26H17F4N3O2
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| Molecular Weight |
479.433
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| Canonical SMILES |
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C(=O)N1c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23+/m0/s1
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| InChIKey |
BKIVSJZNZNFDNY-JTHBVZDNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound