General Information of the Compound
| Compound ID |
CP0478497
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| Compound Name |
3-Biphenyl-4-yl-4-isopropyl-5-methyl-4H-1,2,4-triazol
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| Structure |
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| Formula |
C18H19N3
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| Molecular Weight |
277.371
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| Canonical SMILES |
CC(C)n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C18H19N3/c1-13(2)21-14(3)19-20-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-13H,1-3H3
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| InChIKey |
GZHHPFHHXVSWMN-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