General Information of the Compound
| Compound ID |
CP0479122
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| Compound Name |
4-(1-(3-(piperidin-1-yl)propyl)-3-(3-(piperidin-1-yl)propylthio)-1H-1,2,4-triazol-5-yl)pyridine
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| Structure |
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| Formula |
C23H36N6S
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| Molecular Weight |
428.65
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| Canonical SMILES |
C(CSc1nc(-c2ccncc2)n(CCCN2CCCCC2)n1)CN1CCCCC1
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| InChI |
InChI=1S/C23H36N6S/c1-3-13-27(14-4-1)17-7-19-29-22(21-9-11-24-12-10-21)25-23(26-29)30-20-8-18-28-15-5-2-6-16-28/h9-12H,1-8,13-20H2
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| InChIKey |
FBMNDNRXHDWYRZ-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