General Information of the Compound
| Compound ID |
CP0201601
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| Compound Name |
3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
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| Structure |
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| Formula |
C16H13Cl2N3
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| Molecular Weight |
318.207
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| Canonical SMILES |
Cc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
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| InChIKey |
SVYVANGGEXSFSF-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