General Information of the Compound
| Compound ID |
CP0549030
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| Compound Name |
3-[5-(2-aminoethylsulfamoyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C22H18F3N5O4S2
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| Molecular Weight |
537.545
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| Canonical SMILES |
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/C22H18F3N5O4S2/c23-22(24,25)16-3-1-13(2-4-16)18-12-30(29-28-18)17-10-14(9-15(11-17)21(31)32)19-5-6-20(35-19)36(33,34)27-8-7-26/h1-6,9-12,27H,7-8,26H2,(H,31,32)
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| InChIKey |
OUGKONCGYGJHQJ-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