General Information of the Compound
| Compound ID |
CP0577958
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| Compound Name |
3-[5-(piperazine-1-carbonyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C25H20F3N5O3S
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| Molecular Weight |
527.528
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(s1)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C25H20F3N5O3S/c26-25(27,28)18-3-1-15(2-4-18)20-14-33(31-30-20)19-12-16(11-17(13-19)24(35)36)21-5-6-22(37-21)23(34)32-9-7-29-8-10-32/h1-6,11-14,29H,7-10H2,(H,35,36)
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| InChIKey |
WOFNOEKGOXKPEJ-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