General Information of the Compound
| Compound ID |
CP0538477
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| Compound Name |
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H23Cl2FN4O
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| Molecular Weight |
425.335
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| Canonical SMILES |
CNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
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| InChI |
InChI=1S/C20H23Cl2FN4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-16(21)17(22)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26)
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| InChIKey |
NDYWHACDLHAKHK-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