General Information of the Compound
| Compound ID |
CP0714073
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| Compound Name |
(S)-2-((1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-4-methoxypyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H14ClN5O2
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| Molecular Weight |
355.785
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| Canonical SMILES |
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N
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| InChI |
InChI=1S/C17H14ClN5O2/c1-9(21-17-20-8-11(7-19)16(23-17)25-2)13-6-10-5-12(18)3-4-14(10)22-15(13)24/h3-6,8-9H,1-2H3,(H,22,24)(H,20,21,23)/t9-/m0/s1
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| InChIKey |
QAFWVLDKBWIXLX-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