General Information of the Compound
| Compound ID |
CP0441895
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| Compound Name |
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C22H21ClN2O3S
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| Molecular Weight |
428.941
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| Canonical SMILES |
Cc1ccc(cc1)N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26)
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| InChIKey |
LSMUFSNEUYKRBE-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor