General Information of the Compound
| Compound ID |
CP0499557
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| Compound Name |
8-chloro-2-propyl-6-pyridin-4-ylisoquinolin-1-one
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| Structure |
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| Formula |
C17H15ClN2O
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| Molecular Weight |
298.773
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccncc1
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| InChI |
InChI=1S/C17H15ClN2O/c1-2-8-20-9-5-13-10-14(12-3-6-19-7-4-12)11-15(18)16(13)17(20)21/h3-7,9-11H,2,8H2,1H3
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| InChIKey |
AOZFFWYQEXPUBJ-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