General Information of the Compound
| Compound ID |
CP0839866
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| Compound Name |
(S)-2-(1-(6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1,2-dihydroquinolin-3-yl)ethylamino)-4-methoxypyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C23H19ClN6O3
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| Molecular Weight |
462.897
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| Canonical SMILES |
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N
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| InChI |
InChI=1S/C23H19ClN6O3/c1-13(28-23-27-11-15(10-25)22(30-23)32-2)17-7-14-8-18(24)20(9-19(14)29-21(17)31)33-12-16-5-3-4-6-26-16/h3-9,11,13H,12H2,1-2H3,(H,29,31)(H,27,28,30)/t13-/m0/s1
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| InChIKey |
FDOFXICXZHTQAU-ZDUSSCGKSA-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