General Information of the Compound
| Compound ID |
CP0510885
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C19H20N4OS
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| Molecular Weight |
352.463
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1cccnc1
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| InChI |
InChI=1S/C19H20N4OS/c1-2-8-16(9-3-1)24-14-18-21-22-19(25-17-10-4-5-11-17)23(18)15-7-6-12-20-13-15/h1-3,6-9,12-13,17H,4-5,10-11,14H2
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| InChIKey |
YICOMQJXLKJTLW-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