General Information of the Compound
| Compound ID |
CP0489934
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| Compound Name |
4-(3-chlorophenyl)-3-(phenoxymethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
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| Structure |
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| Formula |
C18H18ClN3OS
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| Molecular Weight |
359.882
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| Canonical SMILES |
CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H18ClN3OS/c1-13(2)24-18-21-20-17(12-23-16-9-4-3-5-10-16)22(18)15-8-6-7-14(19)11-15/h3-11,13H,12H2,1-2H3
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| InChIKey |
IENJAGMJDZQSEK-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