General Information of the Compound
| Compound ID |
CP0413035
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| Compound Name |
1-{8-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-octyl}-4-methyl-piperazine
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| Structure |
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| Formula |
C34H43N5O
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| Molecular Weight |
537.752
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| Canonical SMILES |
CN1CCN(CCCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C34H43N5O/c1-28-35-36-34(31-20-18-30(19-21-31)29-14-8-7-9-15-29)39(28)32-16-10-11-17-33(32)40-27-13-6-4-3-5-12-22-38-25-23-37(2)24-26-38/h7-11,14-21H,3-6,12-13,22-27H2,1-2H3
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| InChIKey |
LDNWUKVFPZRPRN-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