General Information of the Compound
| Compound ID |
CP0455592
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| Compound Name |
2-[5-[(Z)-[1-(3-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
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| Structure |
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| Formula |
C23H16N2O6
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| Molecular Weight |
416.389
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(O)=O)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)15-6-4-5-14(11-15)22(27)28)12-16-9-10-20(31-16)17-7-2-3-8-18(17)23(29)30/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12-
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| InChIKey |
PXALIRMCEIDKBV-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