General Information of the Compound
| Compound ID |
CP0179575
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| Compound Name |
5-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
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| Structure |
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| Formula |
C24H20ClN5O3
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| Molecular Weight |
461.909
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| Canonical SMILES |
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
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| InChI |
InChI=1S/C24H20ClN5O3/c1-14(28-20-7-6-17(12-26)30(2)24(20)32)18-9-15-10-19(25)22(11-21(15)29-23(18)31)33-13-16-5-3-4-8-27-16/h3-11,14,28H,13H2,1-2H3,(H,29,31)/t14-/m0/s1
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| InChIKey |
PJBUFTGEHWYEER-AWEZNQCLSA-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