General Information of the Compound
| Compound ID |
CP0443278
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| Compound Name |
4-(3-chlorophenyl)-3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
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| Structure |
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| Formula |
C20H20ClN3OS
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| Molecular Weight |
385.92
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| Canonical SMILES |
Clc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
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| InChI |
InChI=1S/C20H20ClN3OS/c21-15-7-6-8-16(13-15)24-19(14-25-17-9-2-1-3-10-17)22-23-20(24)26-18-11-4-5-12-18/h1-3,6-10,13,18H,4-5,11-12,14H2
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| InChIKey |
VJIMRYYHPMLSON-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