General Information of the Compound
| Compound ID |
CP0511951
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| Compound Name |
US9278960, 4-54
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| Synonyms |
PMID25435285-Compound-103
Quinoline derivative 6
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| Structure |
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| Formula |
C20H20F3N5O2
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| Molecular Weight |
419.407
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCO[C@H](C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m1/s1
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| InChIKey |
PUIAIYDBFPDZPF-GOSISDBHSA-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
Clinical Information about the Compound
Drug 1 ( Quinoline derivative 6 )
| Drug Name | Quinoline derivative 6 | ||
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| Company | MERCK SHARP & DOHME CORP. BUNGARD, Christopher James CONVERSO, Antonella DE LEON, Pablo HANNEY, Barbara HARTINGH, Timothy John MANIKOWSKI, Jesse Josef MANLEY, Peter, J. MEISSNER, Robert MENG, Zhaoyang PERKINS, James, J. RUDD, Michael, T. SHU, Youheng | ||
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