General Information of the Compound
| Compound ID |
CP0567565
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| Compound Name |
(4S)-7-chloro-10,10-difluoro-4-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-(2,2,2-trifluoroethyl)-1,4,5,8-tetrahydropyrrolo[2,3-i][2]benzazepine-3,9-dione
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| Formula |
C30H29ClF5N5O4
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| Molecular Weight |
654.036
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| Canonical SMILES |
FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O
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| InChI |
InChI=1S/C30H29ClF5N5O4/c31-21-12-17-11-18(26(43)40(15-29(32,33)34)14-20(17)24-25(21)38-27(44)30(24,35)36)13-23(42)39-8-6-19(7-9-39)41-10-5-16-3-1-2-4-22(16)37-28(41)45/h1-4,12,18-19H,5-11,13-15H2,(H,37,45)(H,38,44)/t18-/m0/s1
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| InChIKey |
SDVHRQIHKWUFFA-SFHVURJKSA-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