General Information of the Compound
| Compound ID |
CP0504153
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| Compound Name |
1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-piperidine
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| Structure |
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| Formula |
C32H38N4O
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| Molecular Weight |
494.683
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCCCC1
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| InChI |
InChI=1S/C32H38N4O/c1-26-33-34-32(29-20-18-28(19-21-29)27-14-6-4-7-15-27)36(26)30-16-8-9-17-31(30)37-25-13-3-2-10-22-35-23-11-5-12-24-35/h4,6-9,14-21H,2-3,5,10-13,22-25H2,1H3
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| InChIKey |
BWRRQRJOQYKKBG-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: PT01648, Vasopressin V2 receptor