General Information of the Compound
| Compound ID |
CP0669565
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| Compound Name |
(S)-2-(1-(6-chloro-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethylamino)-4-methoxypyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H16ClN5O3
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| Molecular Weight |
385.811
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| Canonical SMILES |
COc1cc2[nH]c(=O)c([C@H](C)Nc3ncc(C#N)c(OC)n3)cc2cc1Cl
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| InChI |
InChI=1S/C18H16ClN5O3/c1-9(22-18-21-8-11(7-20)17(24-18)27-3)12-4-10-5-13(19)15(26-2)6-14(10)23-16(12)25/h4-6,8-9H,1-3H3,(H,23,25)(H,21,22,24)/t9-/m0/s1
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| InChIKey |
DIDCUOGCZYTDKE-VIFPVBQESA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay