General Information of the Compound
| Compound ID |
CP0525531
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| Compound Name |
4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]benzoic acid
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| Structure |
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| Formula |
C22H15FN4O4
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| Molecular Weight |
418.384
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
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| InChI |
InChI=1S/C22H15FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-12H,(H,24,28)(H,25,27)(H,29,30)
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| InChIKey |
JHUYVAJTSXKSOB-UHFFFAOYSA-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