General Information of the Compound
| Compound ID |
CP0910388
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| Compound Name |
4-chloro-N-[(1R)-1-[4-(3-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2-yl)formamido]ethyl]benzenesulfonyl}-2-oxopropanesulfonyl)phenyl]ethyl]-1,6-dimethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C41H40Cl2N4O7S2
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| Molecular Weight |
835.832
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)CS(=O)(=O)c4ccc([C@@H](C)NC(=O)c5cc6c(Cl)cc(C)cc6n5C)cc4)cc3)n(C)c2c1
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| InChI |
InChI=1S/C41H40Cl2N4O7S2/c1-23-15-34(42)32-19-38(46(5)36(32)17-23)40(49)44-25(3)27-7-11-30(12-8-27)55(51,52)21-29(48)22-56(53,54)31-13-9-28(10-14-31)26(4)45-41(50)39-20-33-35(43)16-24(2)18-37(33)47(39)6/h7-20,25-26H,21-22H2,1-6H3,(H,44,49)(H,45,50)/t25-,26-/m1/s1
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| InChIKey |
VBQFHTXSSQUTPB-CLJLJLNGSA-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