General Information of the Compound
| Compound ID |
CP0392995
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| Compound Name |
2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamido)benzoic acid
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| Structure |
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| Formula |
C22H16ClFN2O4
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| Molecular Weight |
426.831
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| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)
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| InChIKey |
KQIRJHRSAQSCKU-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
Protein ID: PT01648, Vasopressin V2 receptor