General Information of the Compound
| Compound ID |
CP0961557
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| Compound Name |
N-[(1R)-1-[4-(1-carbamoyl-1-methylethanesulfonyl)phenyl]ethyl]-4-chloro-1,6-dimethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H26ClN3O4S
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| Molecular Weight |
475.998
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C(C)(C)C(N)=O)cc3)n(C)c2c1
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| InChI |
InChI=1S/C23H26ClN3O4S/c1-13-10-18(24)17-12-20(27(5)19(17)11-13)21(28)26-14(2)15-6-8-16(9-7-15)32(30,31)23(3,4)22(25)29/h6-12,14H,1-5H3,(H2,25,29)(H,26,28)/t14-/m1/s1
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| InChIKey |
TUBQJDNOTDJPQG-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