General Information of the Compound
| Compound ID |
CP0485310
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C20H22N4O2S
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| Molecular Weight |
382.489
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| Canonical SMILES |
COc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
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| InChI |
InChI=1S/C20H22N4O2S/c1-25-16-7-4-8-17(12-16)26-14-19-22-23-20(27-18-9-2-3-10-18)24(19)15-6-5-11-21-13-15/h4-8,11-13,18H,2-3,9-10,14H2,1H3
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| InChIKey |
FUKOZPVZLZEMQM-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