General Information of the Compound
| Compound ID |
CP0462539
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| Compound Name |
1-[3-[[4-[(7-propan-2-yloxyquinolin-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 |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CC(C)Oc1ccc2ccc(NC3CCN(CC4=CC5CCCC(C4)N5C(C)=O)CC3)nc2c1
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| InChI |
InChI=1S/C28H38N4O2/c1-19(2)34-26-9-7-22-8-10-28(30-27(22)17-26)29-23-11-13-31(14-12-23)18-21-15-24-5-4-6-25(16-21)32(24)20(3)33/h7-10,15,17,19,23-25H,4-6,11-14,16,18H2,1-3H3,(H,29,30)
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| InChIKey |
LBUKSOXTUATJMG-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