General Information of the Compound
| Compound ID |
CP0464099
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| Compound Name |
3-cyclopentylsulfanyl-4-(3,5-dichlorophenyl)-5-(phenoxymethyl)-1,2,4-triazole
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| Structure |
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| Formula |
C20H19Cl2N3OS
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| Molecular Weight |
420.365
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
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| InChI |
InChI=1S/C20H19Cl2N3OS/c21-14-10-15(22)12-16(11-14)25-19(13-26-17-6-2-1-3-7-17)23-24-20(25)27-18-8-4-5-9-18/h1-3,6-7,10-12,18H,4-5,8-9,13H2
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| InChIKey |
HTQSYPBKMLTTCH-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