General Information of the Compound
| Compound ID |
CP0507091
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| Compound Name |
3-[(4Z)-4-[[5-(4-chloro-3-propoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H21ClN2O6
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| Molecular Weight |
492.915
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| Canonical SMILES |
CCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1
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| InChI |
InChI=1S/C26H21ClN2O6/c1-3-11-34-26(33)21-13-16(7-9-22(21)27)23-10-8-19(35-23)14-20-15(2)28-29(24(20)30)18-6-4-5-17(12-18)25(31)32/h4-10,12-14H,3,11H2,1-2H3,(H,31,32)/b20-14-
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| InChIKey |
JEFRHYBFFMYEOR-ZHZULCJRSA-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