General Information of the Compound
| Compound ID |
CP0415340
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| Compound Name |
2-methoxy-5-(3-(2'-methoxybiphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
COc1ccc(cn1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
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| InChI |
InChI=1S/C22H20N4O2/c1-15-24-25-22(26(15)18-12-13-21(28-3)23-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)27-2/h4-14H,1-3H3
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| InChIKey |
QIEUMSLIZIBCSF-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor