General Information of the Compound
| Compound ID |
CP0490026
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| Compound Name |
3-ethyl-4-[3-(methoxymethyl)-2-methylphenyl]-5-(4-phenylphenyl)-1,2,4-triazole
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| Structure |
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| Formula |
C25H25N3O
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| Molecular Weight |
383.495
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(COC)c1C
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| InChI |
InChI=1S/C25H25N3O/c1-4-24-26-27-25(28(24)23-12-8-11-22(17-29-3)18(23)2)21-15-13-20(14-16-21)19-9-6-5-7-10-19/h5-16H,4,17H2,1-3H3
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| InChIKey |
ZMZSXHGPFJYKOB-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