General Information of the Compound
| Compound ID |
CP0397945
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| Compound Name |
2-methyl-N-[4-(1-oxo-3,4-dihydro-2H-1lambda4,5-benzothiazepine-5-carbonyl)phenyl]benzamide
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| Structure |
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| Formula |
C24H22N2O3S
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| Molecular Weight |
418.518
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S+]([O-])c2ccccc12
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| InChI |
InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)
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| InChIKey |
WRHPPQZOFSXDOM-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor