General Information of the Compound
| Compound ID |
CP0969761
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| Compound Name |
N-(2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-5-(methylsulfonyl)phenyl)-1-(fluoromethyl)-3-methoxy-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H28F2N4O6S
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| Molecular Weight |
550.584
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| Canonical SMILES |
COc1ccc(OC2CCN(c3ccc(S(C)(=O)=O)cc3NC(=O)c3cn(CF)nc3OC)CC2)c(F)c1
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| InChI |
InChI=1S/C25H28F2N4O6S/c1-35-17-4-7-23(20(27)12-17)37-16-8-10-30(11-9-16)22-6-5-18(38(3,33)34)13-21(22)28-24(32)19-14-31(15-26)29-25(19)36-2/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,28,32)
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| InChIKey |
WERHNYIZJGCTCH-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