General Information of the Compound
| Compound ID |
CP0404331
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| Compound Name |
8-chloro-6-(6-morpholin-4-ylpyridin-3-yl)-2-propylisoquinolin-1-one
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C21H22ClN3O2/c1-2-6-25-7-5-15-12-17(13-18(22)20(15)21(25)26)16-3-4-19(23-14-16)24-8-10-27-11-9-24/h3-5,7,12-14H,2,6,8-11H2,1H3
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| InChIKey |
ACSHXOLSUYKZPQ-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