General Information of the Compound
| Compound ID |
CP0457524
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| Compound Name |
1-[3-[[4-[(5-fluoro-7-methoxyquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-2-en-9-yl]ethanone
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| Structure |
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| Formula |
C26H33FN4O2
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| Molecular Weight |
452.574
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| Canonical SMILES |
COc1cc(F)c2ccc(NC3CCN(CC4=CC5CCCC(C4)N5C(C)=O)CC3)nc2c1
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| InChI |
InChI=1S/C26H33FN4O2/c1-17(32)31-20-4-3-5-21(31)13-18(12-20)16-30-10-8-19(9-11-30)28-26-7-6-23-24(27)14-22(33-2)15-25(23)29-26/h6-7,12,14-15,19-21H,3-5,8-11,13,16H2,1-2H3,(H,28,29)
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| InChIKey |
YVUGHJSCFKMRDF-UHFFFAOYSA-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