General Information of the Compound
| Compound ID |
CP0511769
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| Compound Name |
N-(2-methoxyethyl)-3,5-dimethyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H24F3N3O2S
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| Molecular Weight |
487.547
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| Canonical SMILES |
COCCNC(=O)c1c(C)nn(c1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C25H24F3N3O2S/c1-15-22(24(32)29-10-11-33-3)16(2)31(30-15)21-9-5-7-18-14-20(34-23(18)21)13-17-6-4-8-19(12-17)25(26,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,29,32)
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| InChIKey |
YCPUYNQLEVUYSG-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