General Information of the Compound
| Compound ID |
CP0914647
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| Compound Name |
(S)-4-Chloro-8-oxo-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)-3,6,7,8,9,10-hexahydro-3,9-diaza-cyclohepta[e]indene-1-carboxylic acid amide
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| Formula |
C28H27ClF3N7O4
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| Molecular Weight |
618.016
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| Canonical SMILES |
NC(=O)c1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(n2c(=O)[nH]c4ncccc42)CC1)C3
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| InChI |
InChI=1S/C28H27ClF3N7O4/c29-19-9-14-8-15(26(42)38(13-28(30,31)32)12-18(14)22-17(24(33)41)11-35-23(19)22)10-21(40)37-6-3-16(4-7-37)39-20-2-1-5-34-25(20)36-27(39)43/h1-2,5,9,11,15-16,35H,3-4,6-8,10,12-13H2,(H2,33,41)(H,34,36,43)/t15-/m0/s1
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| InChIKey |
SCDMXYREAKVXCD-HNNXBMFYSA-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