General Information of the Compound
| Compound ID |
CP0490269
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C25H24N4OS
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| Molecular Weight |
428.561
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| Canonical SMILES |
C(Oc1ccc(cc1)-c1ccccc1)c1nnc(SC2CCCC2)n1-c1cccnc1
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| InChI |
InChI=1S/C25H24N4OS/c1-2-7-19(8-3-1)20-12-14-22(15-13-20)30-18-24-27-28-25(31-23-10-4-5-11-23)29(24)21-9-6-16-26-17-21/h1-3,6-9,12-17,23H,4-5,10-11,18H2
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| InChIKey |
GSNDNCSKSYEXGK-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