General Information of the Compound
| Compound ID |
CP0529309
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-methyl-4-(methylamino)pyrimidin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H24ClF2N5O
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| Molecular Weight |
423.895
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| Canonical SMILES |
CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1C
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| InChI |
InChI=1S/C20H24ClF2N5O/c1-13-10-26-17(27-18(13)24-2)11-25-12-20(23)5-7-28(8-6-20)19(29)14-3-4-16(22)15(21)9-14/h3-4,9-10,25H,5-8,11-12H2,1-2H3,(H,24,26,27)
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| InChIKey |
SWBNDNDMOLRTNE-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