General Information of the Compound
| Compound ID |
CP0578737
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| Compound Name |
4-(4-methylphenyl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
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| Structure |
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| Formula |
C19H22ClN3O
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| Molecular Weight |
343.858
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| Canonical SMILES |
Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1
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| InChI |
InChI=1S/C19H21N3O.ClH/c1-3-4-14-10-21-11-16-17(13-7-5-12(2)6-8-13)15(9-20)19(23)22-18(14)16;/h5-8,14,21H,3-4,10-11H2,1-2H3,(H,22,23);1H
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| InChIKey |
IBIVNJVPIOCNDX-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