General Information of the Compound
| Compound ID |
CP0440973
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| Compound Name |
1-[3-[[4-[(8-chloroquinolin-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 |
C25H31ClN4O
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| Molecular Weight |
439.003
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| Canonical SMILES |
CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cccc(Cl)c3n1)C2
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| InChI |
InChI=1S/C25H31ClN4O/c1-17(31)30-21-5-3-6-22(30)15-18(14-21)16-29-12-10-20(11-13-29)27-24-9-8-19-4-2-7-23(26)25(19)28-24/h2,4,7-9,14,20-22H,3,5-6,10-13,15-16H2,1H3,(H,27,28)
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| InChIKey |
LTLQBTWXVNYQCH-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