General Information of the Compound
| Compound ID |
CP0374435
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[(5-chloropyridin-2-yl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C19H19Cl2F2N3O
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| Molecular Weight |
414.283
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
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| InChI |
InChI=1S/C19H19Cl2F2N3O/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13/h1-4,9-10,24H,5-8,11-12H2
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| InChIKey |
SALDQMKGRXMXGW-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