General Information of the Compound
| Compound ID |
CP0542084
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| Compound Name |
8-chloro-6-(4-methoxyphenyl)-2-propylisoquinolin-1-one
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| Structure |
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| Formula |
C19H18ClNO2
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| Molecular Weight |
327.811
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C19H18ClNO2/c1-3-9-21-10-8-14-11-15(12-17(20)18(14)19(21)22)13-4-6-16(23-2)7-5-13/h4-8,10-12H,3,9H2,1-2H3
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| InChIKey |
ZMEHFZIVSGQPHV-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