General Information of the Compound
| Compound ID |
CP0564934
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| Compound Name |
N-(4-chlorophenyl)-1-methyl-3-[(3,4,5-trifluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C21H18ClF3N4O2
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| Molecular Weight |
450.848
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| Canonical SMILES |
Cn1nc(COc2cc(F)c(F)c(F)c2)c2CN(CCc12)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H18ClF3N4O2/c1-28-19-6-7-29(21(30)26-13-4-2-12(22)3-5-13)10-15(19)18(27-28)11-31-14-8-16(23)20(25)17(24)9-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,26,30)
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| InChIKey |
KGUCQEHXCJRRMH-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