General Information of the Compound
| Compound ID |
CP0469021
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| Compound Name |
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
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| Structure |
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| Formula |
C20H22Cl2N2O2
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| Molecular Weight |
393.314
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| Canonical SMILES |
CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22Cl2N2O2/c1-2-11-23-20(26)18(12-14-3-7-16(21)8-4-14)24-19(25)13-15-5-9-17(22)10-6-15/h3-10,18H,2,11-13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1
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| InChIKey |
OHJDVUZDEXLUBK-GOSISDBHSA-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