General Information of the Compound
| Compound ID |
CP0580145
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| Compound Name |
2-oxo-8-propyl-4-pyridin-4-yl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;dihydrochloride
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| Structure |
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| Formula |
C17H20Cl2N4O
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| Molecular Weight |
367.28
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| Canonical SMILES |
Cl.Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccncc1
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| InChI |
InChI=1S/C17H18N4O.2ClH/c1-2-3-12-9-20-10-14-15(11-4-6-19-7-5-11)13(8-18)17(22)21-16(12)14;;/h4-7,12,20H,2-3,9-10H2,1H3,(H,21,22);2*1H
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| InChIKey |
DVBKZIHLESQCKV-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