General Information of the Compound
| Compound ID |
CP0455329
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| Compound Name |
(3-chlorophenyl)-[4-[[[6-(dimethylamino)pyridin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C21H26ClFN4O
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| Molecular Weight |
404.917
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| Canonical SMILES |
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C21H26ClFN4O/c1-26(2)19-8-4-7-18(25-19)14-24-15-21(23)9-11-27(12-10-21)20(28)16-5-3-6-17(22)13-16/h3-8,13,24H,9-12,14-15H2,1-2H3
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| InChIKey |
DQQNXTPQVLYYCG-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