General Information of the Compound
| Compound ID |
CP0385927
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| Compound Name |
8-chloro-2-propyl-6-[4-(pyridin-3-ylmethoxy)phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C24H21ClN2O2
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| Molecular Weight |
404.897
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2cccnc2)cc1
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| InChI |
InChI=1S/C24H21ClN2O2/c1-2-11-27-12-9-19-13-20(14-22(25)23(19)24(27)28)18-5-7-21(8-6-18)29-16-17-4-3-10-26-15-17/h3-10,12-15H,2,11,16H2,1H3
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| InChIKey |
XRHJMBXQZKUGOY-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