General Information of the Compound
| Compound ID |
CP0106479
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| Compound Name |
5-chloranyl-7-[piperidin-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
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| Structure |
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| Formula |
C20H20ClN3O
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| Molecular Weight |
353.853
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| Canonical SMILES |
Oc1c(cc(Cl)c2cccnc12)C(N1CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C20H20ClN3O/c21-16-13-15(20(25)18-14(16)7-6-10-23-18)19(17-8-2-3-9-22-17)24-11-4-1-5-12-24/h2-3,6-10,13,19,25H,1,4-5,11-12H2
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| InChIKey |
UUKXQRCKOJRJOL-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
Protein ID: PT06109, Geminin
Protein ID: PT06765, Hepcidin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic