General Information of the Compound
| Compound ID |
CP0519760
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| Compound Name |
N-(2-hydroxyethyl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H18F3N3O2S
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| Molecular Weight |
445.466
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| Canonical SMILES |
OCCNC(=O)c1cnn(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C22H18F3N3O2S/c23-22(24,25)17-5-1-3-14(9-17)10-18-11-15-4-2-6-19(20(15)31-18)28-13-16(12-27-28)21(30)26-7-8-29/h1-6,9,11-13,29H,7-8,10H2,(H,26,30)
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| InChIKey |
VGLIOIBFQSVNBH-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