General Information of the Compound
| Compound ID |
CP0542085
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| Compound Name |
1-oxo-2-propyl-6-pyridin-3-ylisoquinoline-8-carbonitrile
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| Structure |
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| Formula |
C18H15N3O
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| Molecular Weight |
289.338
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| Canonical SMILES |
CCCn1ccc2cc(cc(C#N)c2c1=O)-c1cccnc1
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| InChI |
InChI=1S/C18H15N3O/c1-2-7-21-8-5-13-9-15(14-4-3-6-20-12-14)10-16(11-19)17(13)18(21)22/h3-6,8-10,12H,2,7H2,1H3
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| InChIKey |
MXWZNOWXMOFIKL-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