General Information of the Compound
| Compound ID |
CP0848991
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| Compound Name |
4-tert-butyl-N-(2-pyridine-4-carbonyl-4-(pyrrolidin-1-ylsulfonyl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H29N3O5S2
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| Molecular Weight |
527.668
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)c2ccncc2)cc1
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| InChI |
InChI=1S/C26H29N3O5S2/c1-26(2,3)20-6-8-21(9-7-20)35(31,32)28-24-11-10-22(36(33,34)29-16-4-5-17-29)18-23(24)25(30)19-12-14-27-15-13-19/h6-15,18,28H,4-5,16-17H2,1-3H3
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| InChIKey |
YIWBFVJIIDYUAN-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