General Information of the Compound
| Compound ID |
CP0554543
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| Compound Name |
2-(3-chlorophenoxy)-N-((1-((1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrol-3-yl)methyl)piperidin-3-yl)methyl)acetamide
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| Structure |
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| Formula |
C25H26ClF3N4O2
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| Molecular Weight |
506.956
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)-n1ccc(CN2CCCC(CNC(=O)COc3cccc(Cl)c3)C2)c1
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| InChI |
InChI=1S/C25H26ClF3N4O2/c26-21-4-1-5-22(11-21)35-17-24(34)31-12-18-3-2-9-32(14-18)15-19-8-10-33(16-19)23-7-6-20(13-30-23)25(27,28)29/h1,4-8,10-11,13,16,18H,2-3,9,12,14-15,17H2,(H,31,34)
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| InChIKey |
FOTCYCGIASGDDZ-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