General Information of the Compound
| Compound ID |
CP0548615
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| Compound Name |
6-chloro-3-(hydroxymethyl)-2-methyl-4-phenylisoquinolin-1-one
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| Structure |
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| Formula |
C17H14ClNO2
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| Molecular Weight |
299.757
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| Canonical SMILES |
Cn1c(CO)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C17H14ClNO2/c1-19-15(10-20)16(11-5-3-2-4-6-11)14-9-12(18)7-8-13(14)17(19)21/h2-9,20H,10H2,1H3
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| InChIKey |
LFMDHVADHJHPEN-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