General Information of the Compound
| Compound ID |
CP0535259
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| Compound Name |
1-{4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-butyl}-4-methyl-piperazine
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| Structure |
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| Formula |
C30H35N5O
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| Molecular Weight |
481.644
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| Canonical SMILES |
CN1CCN(CCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C30H35N5O/c1-24-31-32-30(27-16-14-26(15-17-27)25-10-4-3-5-11-25)35(24)28-12-6-7-13-29(28)36-23-9-8-18-34-21-19-33(2)20-22-34/h3-7,10-17H,8-9,18-23H2,1-2H3
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| InChIKey |
OTAOVHITJRHQLO-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