General Information of the Compound
| Compound ID |
CP0410082
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| Compound Name |
3-Biphenyl-4-yl-5-tert-butyl-4-(2-fluorophenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C24H22FN3
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| Molecular Weight |
371.459
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| Canonical SMILES |
CC(C)(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
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| InChI |
InChI=1S/C24H22FN3/c1-24(2,3)23-27-26-22(28(23)21-12-8-7-11-20(21)25)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3
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| InChIKey |
RLHGHDKZVCGBAY-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