General Information of the Compound
| Compound ID |
CP0462540
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| Compound Name |
1-[3-[[4-[[6-(trifluoromethyl)quinolin-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 |
C26H31F3N4O
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| Molecular Weight |
472.555
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| Canonical SMILES |
CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(ccc3n1)C(F)(F)F)C2
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| InChI |
InChI=1S/C26H31F3N4O/c1-17(34)33-22-3-2-4-23(33)14-18(13-22)16-32-11-9-21(10-12-32)30-25-8-5-19-15-20(26(27,28)29)6-7-24(19)31-25/h5-8,13,15,21-23H,2-4,9-12,14,16H2,1H3,(H,30,31)
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| InChIKey |
PYRZZSOUEFMPHY-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