General Information of the Compound
| Compound ID |
CP0499558
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| Compound Name |
8-chloro-2-propyl-6-pyrimidin-5-ylisoquinolin-1-one
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| Structure |
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| Formula |
C16H14ClN3O
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| Molecular Weight |
299.761
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| Canonical SMILES |
CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cncnc1
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| InChI |
InChI=1S/C16H14ClN3O/c1-2-4-20-5-3-11-6-12(13-8-18-10-19-9-13)7-14(17)15(11)16(20)21/h3,5-10H,2,4H2,1H3
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| InChIKey |
OOMFBEICGHDDND-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