General Information of the Compound
| Compound ID |
CP0460701
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| Compound Name |
6-cyclohexyl-2-(phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C22H22N2O
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| Molecular Weight |
330.431
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| Canonical SMILES |
O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C22H22N2O/c25-22-20-14-13-18(12-11-17-7-3-1-4-8-17)23-21(20)15-16-24(22)19-9-5-2-6-10-19/h1,3-4,7-8,13-14,19H,2,5-6,9-10,15-16H2
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| InChIKey |
LDQXQPQDTOJKSV-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