General Information of the Compound
| Compound ID |
CP0147089
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| Compound Name |
5-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
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| Structure |
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| Formula |
C18H14ClFN4O2
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| Molecular Weight |
372.787
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| Canonical SMILES |
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(F)cc2[nH]c1=O
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| InChI |
InChI=1S/C18H14ClFN4O2/c1-9(22-15-4-3-11(8-21)24(2)18(15)26)12-5-10-6-13(19)14(20)7-16(10)23-17(12)25/h3-7,9,22H,1-2H3,(H,23,25)/t9-/m0/s1
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| InChIKey |
TZKQLILAWIHUMT-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