General Information of the Compound
| Compound ID |
CP0566842
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| Compound Name |
3-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C27H26F3N5O6S2
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| Molecular Weight |
637.662
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C27H26F3N5O6S2/c1-26(2,3)41-25(38)31-10-11-32-43(39,40)23-9-8-22(42-23)17-12-18(24(36)37)14-20(13-17)35-15-21(33-34-35)16-4-6-19(7-5-16)27(28,29)30/h4-9,12-15,32H,10-11H2,1-3H3,(H,31,38)(H,36,37)
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| InChIKey |
PEOXEYJLVIFHBH-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