General Information of the Compound
| Compound ID |
CP0549016
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| Compound Name |
3-[(3,5-difluorophenoxy)methyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
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| Structure |
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| Formula |
C15H17F2N3O3S
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| Molecular Weight |
357.382
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| Canonical SMILES |
Cn1nc(COc2cc(F)cc(F)c2)c2CN(CCc12)S(C)(=O)=O
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| InChI |
InChI=1S/C15H17F2N3O3S/c1-19-15-3-4-20(24(2,21)22)8-13(15)14(18-19)9-23-12-6-10(16)5-11(17)7-12/h5-7H,3-4,8-9H2,1-2H3
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| InChIKey |
KLEKDNXWYRXDCN-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