General Information of the Compound
| Compound ID |
CP0373353
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| Compound Name |
4-{4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-butyl}-piperidine
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| Structure |
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| Formula |
C30H34N4O
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| Molecular Weight |
466.629
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCC1CCNCC1
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| InChI |
InChI=1S/C30H34N4O/c1-23-32-33-30(27-16-14-26(15-17-27)25-10-3-2-4-11-25)34(23)28-12-5-6-13-29(28)35-22-8-7-9-24-18-20-31-21-19-24/h2-6,10-17,24,31H,7-9,18-22H2,1H3
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| InChIKey |
BVUVRJNGHWMKAP-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