General Information of the Compound
| Compound ID |
CP0402966
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| Compound Name |
3-Biphenyl-4-yl-4-(2-methoxy-phenyl)-5-methyl-4H-[1,2,4]triazole
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| Structure |
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| Formula |
C22H19N3O
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| Molecular Weight |
341.414
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| Canonical SMILES |
COc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-10-6-7-11-21(20)26-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,1-2H3
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| InChIKey |
MHJPVIGLQHLUFI-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: PT02766, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT06071, Sodium- and chloride-dependent glycine transporter 2
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor