General Information of the Compound
| Compound ID |
CP0422095
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| Compound Name |
azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
O=C(N1CCC1)c1ccc2cc(OCCCN3CCCCC3)ccc2n1
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| InChI |
InChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2
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| InChIKey |
UKNFAYKMVKYMSA-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