General Information of the Compound
| Compound ID |
CP0477290
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| Compound Name |
2-{4-[(1R)-1-[(4-chloro-1,6-dimethyl-1H-indol-2- yl)formamido]ethyl]benzenesulfonyl}-2-methylpropanoic acid
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| Structure |
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| Formula |
C23H25ClN2O5S
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| Molecular Weight |
476.982
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C23H25ClN2O5S/c1-13-10-18(24)17-12-20(26(5)19(17)11-13)21(27)25-14(2)15-6-8-16(9-7-15)32(30,31)23(3,4)22(28)29/h6-12,14H,1-5H3,(H,25,27)(H,28,29)/t14-/m1/s1
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| InChIKey |
BXZVDWZYXVCLLP-CQSZACIVSA-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