General Information of the Compound
| Compound ID |
CP0466025
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| Compound Name |
N-(2-hydroxyethyl)-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 |
C24H22F3N3O2S
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| Molecular Weight |
473.52
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| Canonical SMILES |
Cc1nn(c(C)c1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C24H22F3N3O2S/c1-14-21(23(32)28-9-10-31)15(2)30(29-14)20-8-4-6-17-13-19(33-22(17)20)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13,31H,9-10,12H2,1-2H3,(H,28,32)
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| InChIKey |
NZBYAOXVEFSREK-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