General Information of the Compound
| Compound ID |
CP0944939
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| Compound Name |
4-chloro-N-[(1R)-1-{4-[(hydroxycarbamoyl)methanesulfonyl]phenyl}ethyl]-1,6-dimethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C21H22ClN3O5S
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| Molecular Weight |
463.943
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| Canonical SMILES |
Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)NO)cc3)n(C)c2c1
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| InChI |
InChI=1S/C21H22ClN3O5S/c1-12-8-17(22)16-10-19(25(3)18(16)9-12)21(27)23-13(2)14-4-6-15(7-5-14)31(29,30)11-20(26)24-28/h4-10,13,28H,11H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1
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| InChIKey |
DZJLQVCDJJVKSO-CYBMUJFWSA-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