General Information of the Compound
| Compound ID |
CP0452033
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| Compound Name |
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide
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| Structure |
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| Formula |
C22H25Cl2N3O2
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| Molecular Weight |
434.367
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCNCC2)cc1
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| InChI |
InChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)13-20(22(29)26-19-9-11-25-12-10-19)27-21(28)14-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,29)(H,27,28)/t20-/m1/s1
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| InChIKey |
WFASZPBKHLDUHV-HXUWFJFHSA-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: PT02139, Vasopressin V1a receptor