General Information of the Compound
| Compound ID |
CP0455591
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| Compound Name |
3-[(4Z)-4-[[5-(3-methoxycarbonylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H15F3N2O6
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| Molecular Weight |
484.386
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N(N=C2C(F)(F)F)c2cccc(c2)C(O)=O)o1
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| InChI |
InChI=1S/C24H15F3N2O6/c1-34-23(33)15-6-2-4-13(10-15)19-9-8-17(35-19)12-18-20(24(25,26)27)28-29(21(18)30)16-7-3-5-14(11-16)22(31)32/h2-12H,1H3,(H,31,32)/b18-12-
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| InChIKey |
RYXKZJIRTNQUKS-PDGQHHTCSA-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