General Information of the Compound
| Compound ID |
CP0955001
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| Compound Name |
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(6-oxo-5,6,8,9-tetrahydro-1,5,7-triaza-benzocyclohepten-7-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 |
C29H31ClF3N7O4
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| Molecular Weight |
634.059
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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(N2CCc4ncccc4NC2=O)CC1)C3
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| InChI |
InChI=1S/C29H31ClF3N7O4/c1-37-25-19-14-39(15-29(31,32)33)26(42)17(11-16(19)12-20(30)24(25)36-27(37)43)13-23(41)38-8-4-18(5-9-38)40-10-6-21-22(35-28(40)44)3-2-7-34-21/h2-3,7,12,17-18H,4-6,8-11,13-15H2,1H3,(H,35,44)(H,36,43)/t17-/m0/s1
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| InChIKey |
QWPZSNVDWWDYQS-KRWDZBQOSA-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