General Information of the Compound
| Compound ID |
CP0405268
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| Compound Name |
1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamido)benzyl)-1H-pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C27H21ClFN3O4
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| Molecular Weight |
505.933
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| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)
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| InChIKey |
RRGQTZFOQQMAOA-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