General Information of the Compound
| Compound ID |
CP0558109
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| Compound Name |
3-(5-piperazin-1-ylsulfonylthiophen-2-yl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H20F3N5O4S2
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| Molecular Weight |
563.583
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N1CCNCC1
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| InChI |
InChI=1S/C24H20F3N5O4S2/c25-24(26,27)18-3-1-15(2-4-18)20-14-32(30-29-20)19-12-16(11-17(13-19)23(33)34)21-5-6-22(37-21)38(35,36)31-9-7-28-8-10-31/h1-6,11-14,28H,7-10H2,(H,33,34)
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| InChIKey |
QOLCFFGYLIHPJP-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