General Information of the Compound
| Compound ID |
CP0557400
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| Compound Name |
3-[(3,5-difluorophenoxy)methyl]-1-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
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| Structure |
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| Formula |
C21H18F5N3O3S
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| Molecular Weight |
487.45
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| Canonical SMILES |
Cn1nc(COc2cc(F)cc(F)c2)c2CN(CCc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F5N3O3S/c1-28-20-6-7-29(33(30,31)17-4-2-13(3-5-17)21(24,25)26)11-18(20)19(27-28)12-32-16-9-14(22)8-15(23)10-16/h2-5,8-10H,6-7,11-12H2,1H3
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| InChIKey |
VBISAJVXNQJHFT-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