General Information of the Compound
| Compound ID |
CP0519759
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| Compound Name |
N-(2-hydroxyethyl)-3-(hydroxymethyl)-5-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H22F3N3O3S
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| Molecular Weight |
489.519
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| Canonical SMILES |
Cc1c(C(=O)NCCO)c(CO)nn1-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)19(13-32)29-30(14)20-7-3-5-16-12-18(34-22(16)20)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
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| InChIKey |
ZCGRNQIQUJMSGI-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