General Information of the Compound
| Compound ID |
CP0425666
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| Compound Name |
3-Biphenyl-4-yl-5-methyl-4-(2-propylphenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C24H23N3
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| Molecular Weight |
353.469
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| Canonical SMILES |
CCCc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C24H23N3/c1-3-9-21-12-7-8-13-23(21)27-18(2)25-26-24(27)22-16-14-20(15-17-22)19-10-5-4-6-11-19/h4-8,10-17H,3,9H2,1-2H3
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| InChIKey |
VWOYBCVFPLKBOQ-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