General Information of the Compound
| Compound ID |
CP0544811
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| Compound Name |
3-[(4Z)-4-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H17N3O7
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| Molecular Weight |
447.403
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| Canonical SMILES |
COc1cc(ccc1-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H17N3O7/c1-13-19(22(27)25(24-13)15-5-3-4-14(10-15)23(28)29)12-17-7-9-20(33-17)18-8-6-16(26(30)31)11-21(18)32-2/h3-12H,1-2H3,(H,28,29)/b19-12-
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| InChIKey |
BFKAQVYUXBBGHJ-UNOMPAQXSA-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