General Information of the Compound
| Compound ID |
CP0466024
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| Compound Name |
N-(2-hydroxyethyl)-2-methyl-5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H20F3N3O2S
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| Molecular Weight |
459.493
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| Canonical SMILES |
Cn1nc(cc1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C23H20F3N3O2S/c1-29-20(22(31)27-8-9-30)13-19(28-29)18-7-3-5-15-12-17(32-21(15)18)11-14-4-2-6-16(10-14)23(24,25)26/h2-7,10,12-13,30H,8-9,11H2,1H3,(H,27,31)
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| InChIKey |
ZTJYVKSEZOHGTH-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