General Information of the Compound
| Compound ID |
CP0381008
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| Compound Name |
(3-chloro-4-methylphenyl)-[4-[[[6-(dimethylamino)pyridin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H28ClFN4O
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| Molecular Weight |
418.944
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| Canonical SMILES |
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(C)c(Cl)c2)n1
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| InChI |
InChI=1S/C22H28ClFN4O/c1-16-7-8-17(13-19(16)23)21(29)28-11-9-22(24,10-12-28)15-25-14-18-5-4-6-20(26-18)27(2)3/h4-8,13,25H,9-12,14-15H2,1-3H3
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| InChIKey |
ZVOKHVDANBFMRT-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