General Information of the Compound
| Compound ID |
CP0404330
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| Compound Name |
8-chloro-2-propyl-6-(3-pyridin-3-ylpropoxy)isoquinolin-1-one
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| Structure |
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| Formula |
C20H21ClN2O2
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| Molecular Weight |
356.853
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| Canonical SMILES |
CCCn1ccc2cc(OCCCc3cccnc3)cc(Cl)c2c1=O
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| InChI |
InChI=1S/C20H21ClN2O2/c1-2-9-23-10-7-16-12-17(13-18(21)19(16)20(23)24)25-11-4-6-15-5-3-8-22-14-15/h3,5,7-8,10,12-14H,2,4,6,9,11H2,1H3
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| InChIKey |
DYMLLWBQOOGYRB-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