General Information of the Compound
| Compound ID |
CP0460697
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| Compound Name |
2-((2-chlorophenyl)ethynyl)-6-cyclohexyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C22H21ClN2O
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| Molecular Weight |
364.876
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| Canonical SMILES |
Clc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
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| InChI |
InChI=1S/C22H21ClN2O/c23-20-9-5-4-6-16(20)10-11-17-12-13-19-21(24-17)14-15-25(22(19)26)18-7-2-1-3-8-18/h4-6,9,12-13,18H,1-3,7-8,14-15H2
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| InChIKey |
DAIGYVORYSPSKC-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