General Information of the Compound
| Compound ID |
CP0547298
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| Compound Name |
3-[5-(3-aminopropylsulfamoyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H20F3N5O4S2
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| Molecular Weight |
551.572
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| Canonical SMILES |
NCCCNS(=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/C23H20F3N5O4S2/c24-23(25,26)17-4-2-14(3-5-17)19-13-31(30-29-19)18-11-15(10-16(12-18)22(32)33)20-6-7-21(36-20)37(34,35)28-9-1-8-27/h2-7,10-13,28H,1,8-9,27H2,(H,32,33)
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| InChIKey |
IENUAYWAYUILLN-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