General Information of the Compound
| Compound ID |
CP0437959
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| Compound Name |
4-[(7-hydroxy-8-oxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl)methyl]benzonitrile
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| Structure |
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| Formula |
C16H15N3O2
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| Molecular Weight |
281.315
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| Canonical SMILES |
Oc1cn2CCN(Cc3ccc(cc3)C#N)Cc2cc1=O
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| InChI |
InChI=1S/C16H15N3O2/c17-8-12-1-3-13(4-2-12)9-18-5-6-19-11-16(21)15(20)7-14(19)10-18/h1-4,7,11,21H,5-6,9-10H2
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| InChIKey |
KVLGSHAPDBCIPG-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