General Information of the Compound
| Compound ID |
CP0378666
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[(5-chloropyrimidin-2-yl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C18H18Cl2F2N4O
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| Molecular Weight |
415.271
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1
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| InChI |
InChI=1S/C18H18Cl2F2N4O/c19-13-8-24-16(25-9-13)10-23-11-18(22)3-5-26(6-4-18)17(27)12-1-2-15(21)14(20)7-12/h1-2,7-9,23H,3-6,10-11H2
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| InChIKey |
FEAAZFFFIOUJCT-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