General Information of the Compound
| Compound ID |
CP0432304
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| Compound Name |
3-Biphenyl-4-yl-4-[2-(6-imidazol-1-yl-hexyloxy)-phenyl]-5-methyl-4H-[1,2,4]triazole
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| Structure |
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| Formula |
C30H31N5O
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| Molecular Weight |
477.612
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCn1ccnc1
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| InChI |
InChI=1S/C30H31N5O/c1-24-32-33-30(27-17-15-26(16-18-27)25-11-5-4-6-12-25)35(24)28-13-7-8-14-29(28)36-22-10-3-2-9-20-34-21-19-31-23-34/h4-8,11-19,21,23H,2-3,9-10,20,22H2,1H3
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| InChIKey |
FMBAOXRBFLKKIH-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