General Information of the Compound
| Compound ID |
CP0547100
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| Compound Name |
1-(3-chloropyridin-2-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C18H14Cl2F3N3O
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| Molecular Weight |
416.23
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| Canonical SMILES |
FC(F)(F)c1cc(Cl)ccc1NC(=O)C1=CCN(CC1)c1ncccc1Cl
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| InChI |
InChI=1S/C18H14Cl2F3N3O/c19-12-3-4-15(13(10-12)18(21,22)23)25-17(27)11-5-8-26(9-6-11)16-14(20)2-1-7-24-16/h1-5,7,10H,6,8-9H2,(H,25,27)
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| InChIKey |
LXKZZURDIKAFEP-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