General Information of the Compound
| Compound ID |
CP0559198
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| Compound Name |
2-methanesulfonylethyl 2-{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 |
C24H27ClN2O7S2
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| Molecular Weight |
555.074
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(=O)OCCS(C)(=O)=O
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| InChI |
InChI=1S/C24H27ClN2O7S2/c1-15-11-20(25)19-13-22(27(3)21(19)12-15)24(29)26-16(2)17-5-7-18(8-6-17)36(32,33)14-23(28)34-9-10-35(4,30)31/h5-8,11-13,16H,9-10,14H2,1-4H3,(H,26,29)/t16-/m1/s1
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| InChIKey |
BNHQPQOSMPLPDD-MRXNPFEDSA-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