General Information of the Compound
| Compound ID |
CP0379440
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| Compound Name |
1-{7-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-heptyl}-4-methyl-piperazine
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| Structure |
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| Formula |
C33H41N5O
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| Molecular Weight |
523.725
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| Canonical SMILES |
CN1CCN(CCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C33H41N5O/c1-27-34-35-33(30-19-17-29(18-20-30)28-13-7-6-8-14-28)38(27)31-15-9-10-16-32(31)39-26-12-5-3-4-11-21-37-24-22-36(2)23-25-37/h6-10,13-20H,3-5,11-12,21-26H2,1-2H3
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| InChIKey |
QPWGTBVZQDMKHE-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