General Information of the Compound
| Compound ID |
CP0437403
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| Compound Name |
3-(4-Cyclohexylphenyl)-4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazole
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| Structure |
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| Formula |
C21H22FN3
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| Molecular Weight |
335.426
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)C2CCCCC2)n1-c1ccccc1F
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| InChI |
InChI=1S/C21H22FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3
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| InChIKey |
AWRBDADUWBCEBN-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