General Information of the Compound
| Compound ID |
CP0377840
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| Compound Name |
6-Cyclohexyl-2-pyridin-3-ylethynyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
O=C1N(CCc2nc(ccc12)C#Cc1cccnc1)C1CCCCC1
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| InChI |
InChI=1S/C21H21N3O/c25-21-19-11-10-17(9-8-16-5-4-13-22-15-16)23-20(19)12-14-24(21)18-6-2-1-3-7-18/h4-5,10-11,13,15,18H,1-3,6-7,12,14H2
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| InChIKey |
BDVBSUQDXROFTD-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