General Information of the Compound
Compound ID |
CP0961162
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Compound Name |
N-(2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-5-(methylsulfonyl)phenyl)-1-(2-fluoroethyl)-3-methoxy-1H-pyrazole-4-carboxamide
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Structure |
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Formula |
C26H30F2N4O6S
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Molecular Weight |
564.611
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Canonical SMILES |
COc1ccc(OC2CCN(c3ccc(S(C)(=O)=O)cc3NC(=O)c3cn(CCF)nc3OC)CC2)c(F)c1
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InChI |
InChI=1S/C26H30F2N4O6S/c1-36-18-4-7-24(21(28)14-18)38-17-8-11-31(12-9-17)23-6-5-19(39(3,34)35)15-22(23)29-25(33)20-16-32(13-10-27)30-26(20)37-2/h4-7,14-17H,8-13H2,1-3H3,(H,29,33)
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InChIKey |
OMUQQRJCAXCTKA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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