General Information of the Compound
| Compound ID |
CP0959146
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| Compound Name |
(S)-4-Chloro-1,1-difluoro-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyridin-1-yl)-piperidin-1-yl]-ethyl}-9-(2,2,2-trifluoro-ethyl)-1,3,6,7,9,10-hexahydro-3,9-diaza-cyclohepta[e]indene-2,8-dione
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| Formula |
C27H24ClF5N6O4
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| Molecular Weight |
626.97
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| Canonical SMILES |
O=C(C[C@@H]1Cc2cc(Cl)c3c(c2CN(CC(F)(F)F)C1=O)C(F)(F)C(=O)N3)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
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| InChI |
InChI=1S/C27H24ClF5N6O4/c28-17-9-13-8-14(23(41)38(12-26(29,30)31)11-16(13)20-21(17)35-24(42)27(20,32)33)10-19(40)37-6-3-15(4-7-37)39-18-2-1-5-34-22(18)36-25(39)43/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H,35,42)(H,34,36,43)/t14-/m0/s1
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| InChIKey |
BJCIUGQLZIVCJA-AWEZNQCLSA-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