General Information of the Compound
| Compound ID |
CP0101910
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| Compound Name |
4-(3-(2-cyclopentylpyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C27H24F3N3O
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| Molecular Weight |
463.503
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CCCC1
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| InChI |
InChI=1S/C27H24F3N3O/c1-16-11-24-25(14-21(16)27(28,29)30)33-26(34)15-23(32-24)20-8-4-7-18(12-20)19-9-10-31-22(13-19)17-5-2-3-6-17/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,33,34)
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| InChIKey |
DKJNQISCRXNASW-UHFFFAOYSA-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