General Information of the Compound
| Compound ID |
CP0379180
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| Compound Name |
3-[1-(6-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C21H19ClN4O2
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| Molecular Weight |
394.862
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| Canonical SMILES |
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C21H19ClN4O2/c22-13-5-6-15-16(12-23-18(15)11-13)20(27)25-9-7-14(8-10-25)26-19-4-2-1-3-17(19)24-21(26)28/h1-6,11-12,14,23H,7-10H2,(H,24,28)
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| InChIKey |
OPUUOMNWXYQDMA-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