General Information of the Compound
| Compound ID |
CP0469023
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| Compound Name |
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
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| Structure |
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| Formula |
C23H27Cl2N3O2
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| Molecular Weight |
448.394
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCCNCC2)cc1
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| InChI |
InChI=1S/C23H27Cl2N3O2/c24-18-7-3-16(4-8-18)14-21(23(30)27-20-2-1-12-26-13-11-20)28-22(29)15-17-5-9-19(25)10-6-17/h3-10,20-21,26H,1-2,11-15H2,(H,27,30)(H,28,29)/t20?,21-/m1/s1
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| InChIKey |
WARQBAZBLABDHF-BPGUCPLFSA-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