General Information of the Compound
Compound ID |
CP0910389
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Compound Name |
2-[(2-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2-yl)formamido]ethyl]benzenesulfonyl}acetyl)oxy]ethyl2-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2-yl)formamido]ethyl]benzenesulfonyl}acetate
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Structure |
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Formula |
C44H44Cl2N4O10S2
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Molecular Weight |
923.894
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Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)OCCOC(=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/C44H44Cl2N4O10S2/c1-25-17-35(45)33-21-39(49(5)37(33)19-25)43(53)47-27(3)29-7-11-31(12-8-29)61(55,56)23-41(51)59-15-16-60-42(52)24-62(57,58)32-13-9-30(10-14-32)28(4)48-44(54)40-22-34-36(46)18-26(2)20-38(34)50(40)6/h7-14,17-22,27-28H,15-16,23-24H2,1-6H3,(H,47,53)(H,48,54)/t27-,28-/m1/s1
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InChIKey |
HXJBZOUOBSBDRZ-VSGBNLITSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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