General Information of the Compound
| Compound ID |
CP0910385
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| Compound Name |
propan-2-yl 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 |
C24H27ClN2O5S
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| Molecular Weight |
491.009
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)NC(C)c3ccc(S(=O)(=O)CC(=O)OC(C)C)cc3)n(C)c2c1
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| InChI |
InChI=1S/C24H27ClN2O5S/c1-14(2)32-23(28)13-33(30,31)18-8-6-17(7-9-18)16(4)26-24(29)22-12-19-20(25)10-15(3)11-21(19)27(22)5/h6-12,14,16H,13H2,1-5H3,(H,26,29)
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| InChIKey |
KBWITMVAESOQCP-UHFFFAOYSA-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