General Information of the Compound
| Compound ID |
CP0376929
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| Compound Name |
8-chloro-6-[6-(2-phenylethoxy)pyridin-3-yl]-2-propylisoquinolin-1-one
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| Structure |
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| Formula |
C25H23ClN2O2
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| Molecular Weight |
418.924
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCCc2ccccc2)nc1
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| InChI |
InChI=1S/C25H23ClN2O2/c1-2-12-28-13-10-19-15-21(16-22(26)24(19)25(28)29)20-8-9-23(27-17-20)30-14-11-18-6-4-3-5-7-18/h3-10,13,15-17H,2,11-12,14H2,1H3
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| InChIKey |
VUNDIRCRGWKECA-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