General Information of the Compound
| Compound ID |
CP0951482
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| Compound Name |
7-[(4-Benzyl-piperidin-1-yl)-pyridin-2-yl-methyl]quinolin-8-ol
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| Structure |
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| Formula |
C27H27N3O
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| Molecular Weight |
409.533
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| Canonical SMILES |
Oc1c(C(c2ccccn2)N2CCC(Cc3ccccc3)CC2)ccc2cccnc12
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| InChI |
InChI=1S/C27H27N3O/c31-27-23(12-11-22-9-6-16-29-25(22)27)26(24-10-4-5-15-28-24)30-17-13-21(14-18-30)19-20-7-2-1-3-8-20/h1-12,15-16,21,26,31H,13-14,17-19H2
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| InChIKey |
ULORUORGDZBJQX-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