General Information of the Compound
| Compound ID |
CP0454561
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| Compound Name |
3-[(4Z)-4-[[5-(3-butoxycarbonyl-4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C27H23ClN2O6
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| Molecular Weight |
506.942
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| Canonical SMILES |
CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1
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| InChI |
InChI=1S/C27H23ClN2O6/c1-3-4-12-35-27(34)22-14-17(8-10-23(22)28)24-11-9-20(36-24)15-21-16(2)29-30(25(21)31)19-7-5-6-18(13-19)26(32)33/h5-11,13-15H,3-4,12H2,1-2H3,(H,32,33)/b21-15-
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| InChIKey |
BFFAIQRUDHYDOM-QNGOZBTKSA-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