General Information of the Compound
| Compound ID |
CP0529310
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[4-(methylamino)pyrimidin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C19H22ClF2N5O
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| Molecular Weight |
409.868
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| Canonical SMILES |
CNc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
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| InChI |
InChI=1S/C19H22ClF2N5O/c1-23-16-4-7-25-17(26-16)11-24-12-19(22)5-8-27(9-6-19)18(28)13-2-3-15(21)14(20)10-13/h2-4,7,10,24H,5-6,8-9,11-12H2,1H3,(H,23,25,26)
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| InChIKey |
NCSRAJRGGJOJSY-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