General Information of the Compound
| Compound ID |
CP0538128
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[[4-(dimethylamino)pyrimidin-2-yl]methylamino]methyl]-4-fluoropiperidin-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 |
CN(C)c1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
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| InChI |
InChI=1S/C20H24ClF2N5O/c1-27(2)18-5-8-25-17(26-18)12-24-13-20(23)6-9-28(10-7-20)19(29)14-3-4-16(22)15(21)11-14/h3-5,8,11,24H,6-7,9-10,12-13H2,1-2H3
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| InChIKey |
WWWGSEBHOSQKPN-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