General Information of the Compound
| Compound ID |
CP0961690
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| Compound Name |
7-{[4-(2-Fluoro-phenyl)-piperidin-1-yl]-pyridin-2-yl-methyl}-quinolin-8-ol
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| Structure |
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| Formula |
C26H24FN3O
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| Molecular Weight |
413.496
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| Canonical SMILES |
Oc1c(C(c2ccccn2)N2CCC(c3ccccc3F)CC2)ccc2cccnc12
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| InChI |
InChI=1S/C26H24FN3O/c27-22-8-2-1-7-20(22)18-12-16-30(17-13-18)25(23-9-3-4-14-28-23)21-11-10-19-6-5-15-29-24(19)26(21)31/h1-11,14-15,18,25,31H,12-13,16-17H2
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| InChIKey |
FPIXGCGRSYQZFY-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