General Information of the Compound
| Compound ID |
CP0883916
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| Compound Name |
5-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2-yl)formamido]ethyl]benzenesulfonyl}-4-oxopentanoic acid
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| Structure |
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| Formula |
C24H25ClN2O6S
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| Molecular Weight |
504.992
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)CCC(=O)O)cc3)n(C)c2c1
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| InChI |
InChI=1S/C24H25ClN2O6S/c1-14-10-20(25)19-12-22(27(3)21(19)11-14)24(31)26-15(2)16-4-7-18(8-5-16)34(32,33)13-17(28)6-9-23(29)30/h4-5,7-8,10-12,15H,6,9,13H2,1-3H3,(H,26,31)(H,29,30)/t15-/m1/s1
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| InChIKey |
PZFHVZQDLUUICO-OAHLLOKOSA-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