General Information of the Compound
| Compound ID |
CP0580236
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| Compound Name |
4-(5-ethyl-1,3-thiazol-2-yl)-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 |
C17H21ClN4OS
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| Molecular Weight |
364.902
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| Canonical SMILES |
Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ncc(CC)s1
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| InChI |
InChI=1S/C17H20N4OS.ClH/c1-3-5-10-7-19-9-13-14(17-20-8-11(4-2)23-17)12(6-18)16(22)21-15(10)13;/h8,10,19H,3-5,7,9H2,1-2H3,(H,21,22);1H
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| InChIKey |
HLXCLMHVBLSAIB-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