General Information of the Compound
| Compound ID |
CP0037263
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| Compound Name |
1-[3-[[4-(quinolin-2-ylamino)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 |
C25H32N4O
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| Molecular Weight |
404.558
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| Canonical SMILES |
CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3ccccc3n1)C2
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| InChI |
InChI=1S/C25H32N4O/c1-18(30)29-22-6-4-7-23(29)16-19(15-22)17-28-13-11-21(12-14-28)26-25-10-9-20-5-2-3-8-24(20)27-25/h2-3,5,8-10,15,21-23H,4,6-7,11-14,16-17H2,1H3,(H,26,27)
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| InChIKey |
DQQJTBKQLYIUIZ-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