General Information of the Compound
| Compound ID |
CP0393401
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| Compound Name |
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-chloro-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C22H21ClN2O4S
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| Molecular Weight |
444.94
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| Canonical SMILES |
COc1ccc(cc1)N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H21ClN2O4S/c1-16-14-17(23)8-13-21(16)24-22(26)15-25(18-9-11-19(29-2)12-10-18)30(27,28)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,26)
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| InChIKey |
AZWCDJJIOYIMQH-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