General Information of the Compound
| Compound ID |
CP0433526
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| Compound Name |
(6-chloro-1H-indol-3-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C19H17Cl2N3O
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| Molecular Weight |
374.271
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| Canonical SMILES |
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCN(CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C19H17Cl2N3O/c20-13-5-6-14-15(12-22-17(14)11-13)19(25)24-9-7-23(8-10-24)18-4-2-1-3-16(18)21/h1-6,11-12,22H,7-10H2
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| InChIKey |
ZDUAQXCLICAACJ-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: PT01839, Vasopressin V1a receptor
Protein ID: PT06207, Vasopressin V1a receptor