General Information of the Compound
| Compound ID |
CP0412003
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| Compound Name |
5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C22H28N4
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| Molecular Weight |
348.494
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| Canonical SMILES |
CC1CC(CN(CC2CCN(C)C2)C1)c1ccc(C#N)c2ncccc12
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| InChI |
InChI=1S/C22H28N4/c1-16-10-19(15-26(12-16)14-17-7-9-25(2)13-17)20-6-5-18(11-23)22-21(20)4-3-8-24-22/h3-6,8,16-17,19H,7,9-10,12-15H2,1-2H3
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| InChIKey |
FDVMJVKEBUYLKY-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