General Information of the Compound
| Compound ID |
CP0498956
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| Compound Name |
4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-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 |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(C)c1C
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| InChI |
InChI=1S/C24H23N3/c1-4-23-25-26-24(27(23)22-12-8-9-17(2)18(22)3)21-15-13-20(14-16-21)19-10-6-5-7-11-19/h5-16H,4H2,1-3H3
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| InChIKey |
RVUWASDCOIJWGK-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