General Information of the Compound
| Compound ID |
CP0410069
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| Compound Name |
4-((5-(4-(methylsulfonyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
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| Structure |
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| Formula |
C26H20F3N7O4S
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| Molecular Weight |
583.552
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nn1Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H20F3N7O4S/c1-41(38,39)21-12-8-18(9-13-21)23-14-22(17-6-10-20(11-7-17)40-26(27,28)29)33-36(23)15-16-2-4-19(5-3-16)24(37)30-25-31-34-35-32-25/h2-14H,15H2,1H3,(H2,30,31,32,34,35,37)
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| InChIKey |
VXGSKFJBVOVHRZ-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