General Information of the Compound
| Compound ID |
CP0480329
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| Compound Name |
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
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| Structure |
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| Formula |
C21H18Cl2N2O3S
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| Molecular Weight |
449.359
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H18Cl2N2O3S/c1-15-19(23)8-5-9-20(15)24-21(26)14-25(17-12-10-16(22)11-13-17)29(27,28)18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,24,26)
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| InChIKey |
ZPBHROOKPNFDBT-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