General Information of the Compound
| Compound ID |
CP0402122
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| Compound Name |
5-(2-chlorophenyl)-2-[(3-chlorophenyl)methyl]-1H-1,2,4-triazole-3-thione
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| Structure |
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| Formula |
C15H11Cl2N3S
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| Molecular Weight |
336.247
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| Canonical SMILES |
Sc1nc(nn1Cc1cccc(Cl)c1)-c1ccccc1Cl
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| InChI |
InChI=1S/C15H11Cl2N3S/c16-11-5-3-4-10(8-11)9-20-15(21)18-14(19-20)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,21)
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| InChIKey |
BVVNOWWRISDJKJ-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