General Information of the Compound
| Compound ID |
CP0449194
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| Compound Name |
3-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]benzonitrile
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| Structure |
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| Formula |
C20H19N5OS
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| Molecular Weight |
377.473
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| Canonical SMILES |
N#Cc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
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| InChI |
InChI=1S/C20H19N5OS/c21-12-15-5-3-7-17(11-15)26-14-19-23-24-20(27-18-8-1-2-9-18)25(19)16-6-4-10-22-13-16/h3-7,10-11,13,18H,1-2,8-9,14H2
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| InChIKey |
LQQJJNOCOPXZLU-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