General Information of the Compound
| Compound ID |
CP0252290
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| Compound Name |
4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C19H23ClN2O3S
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| Molecular Weight |
394.924
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
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| InChI |
InChI=1S/C19H23ClN2O3S/c1-19(2,3)15-8-5-13(6-9-15)18(23)21-12-14-7-10-16(11-17(14)20)22-26(4,24)25/h5-11,22H,12H2,1-4H3,(H,21,23)
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| InChIKey |
IMPXBWVTYSVBEU-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01286, Bile acid receptor
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma