General Information of the Compound
| Compound ID |
CP0404332
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| Compound Name |
8-chloro-2-propyl-6-[4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C25H20ClF3N2O2
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| Molecular Weight |
472.894
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2ccc(nc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H20ClF3N2O2/c1-2-10-31-11-9-18-12-19(13-21(26)23(18)24(31)32)17-4-6-20(7-5-17)33-15-16-3-8-22(30-14-16)25(27,28)29/h3-9,11-14H,2,10,15H2,1H3
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| InChIKey |
GFNPOQIZCADBHS-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