General Information of the Compound
| Compound ID |
CP0552631
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| Compound Name |
2-chloro-5-[(4Z)-4-[[5-(4-chloro-3-prop-2-enoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H18Cl2N2O6
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| Molecular Weight |
525.344
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C)c1ccc(Cl)c(c1)C(O)=O
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| InChI |
InChI=1S/C26H18Cl2N2O6/c1-3-10-35-26(34)20-11-15(4-7-22(20)28)23-9-6-17(36-23)13-18-14(2)29-30(24(18)31)16-5-8-21(27)19(12-16)25(32)33/h3-9,11-13H,1,10H2,2H3,(H,32,33)/b18-13-
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| InChIKey |
OPQOGMOIWDWMHN-AQTBWJFISA-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