General Information of the Compound
| Compound ID |
CP0660539
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| Compound Name |
(S)-5-((1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-6-methoxypicolinonitrile
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| Structure |
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| Formula |
C18H15ClN4O2
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| Molecular Weight |
354.797
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| Canonical SMILES |
COc1nc(C#N)ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O
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| InChI |
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)22-18(16)25-2)14-8-11-7-12(19)3-5-15(11)23-17(14)24/h3-8,10,21H,1-2H3,(H,23,24)/t10-/m0/s1
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| InChIKey |
LXAVQRJBWNUBTP-JTQLQIEISA-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