General Information of the Compound
| Compound ID |
CP0911096
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| Compound Name |
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-3-yl)-piperidin-1-yl]-ethyl}-9-(2,2,2-trifluoro-ethyl)-1,3,6,7,9,10-hexahydro-1,3,9-triaza-cyclohepta[e]indene-2,8-dione
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| Formula |
C30H32ClF3N6O4
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| Molecular Weight |
633.071
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| Canonical SMILES |
Cn1c(=O)[nH]c2c(Cl)cc3c(c21)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ccccc4NC2=O)CC1)C3
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| InChI |
InChI=1S/C30H32ClF3N6O4/c1-37-26-21-15-39(16-30(32,33)34)27(42)19(12-18(21)13-22(31)25(26)36-28(37)43)14-24(41)38-9-7-20(8-10-38)40-11-6-17-4-2-3-5-23(17)35-29(40)44/h2-5,13,19-20H,6-12,14-16H2,1H3,(H,35,44)(H,36,43)/t19-/m0/s1
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| InChIKey |
JXGSAMHWEISJEV-IBGZPJMESA-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