General Information of the Compound
| Compound ID |
CP0553286
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| Compound Name |
3-cyclopentylsulfanyl-5-(phenoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C21H20F3N3OS
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| Molecular Weight |
419.472
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
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| InChI |
InChI=1S/C21H20F3N3OS/c22-21(23,24)15-7-6-8-16(13-15)27-19(14-28-17-9-2-1-3-10-17)25-26-20(27)29-18-11-4-5-12-18/h1-3,6-10,13,18H,4-5,11-12,14H2
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| InChIKey |
KRAOEVADFOTMSV-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