General Information of the Compound
| Compound ID |
CP0561317
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| Compound Name |
2-chloro-5-[(4Z)-4-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C25H19ClN2O6
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| Molecular Weight |
478.888
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1
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| InChI |
InChI=1S/C25H19ClN2O6/c1-3-33-25(32)16-6-4-5-15(11-16)22-10-8-18(34-22)13-19-14(2)27-28(23(19)29)17-7-9-21(26)20(12-17)24(30)31/h4-13H,3H2,1-2H3,(H,30,31)/b19-13-
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| InChIKey |
IJBUZOLLAANVTC-UYRXBGFRSA-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