General Information of the Compound
| Compound ID |
CP0559094
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| Compound Name |
US9290454, 2.1
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| Structure |
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| Formula |
C26H20F2N2O4
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| Molecular Weight |
462.452
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc2c(c1)cc(CC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H20F2N2O4/c1-15(16-2-5-19(27)6-3-16)29-25(33)17-4-11-23-18(12-17)13-22(14-24(31)32)30(26(23)34)21-9-7-20(28)8-10-21/h2-13,15H,14H2,1H3,(H,29,33)(H,31,32)/t15-/m1/s1
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| InChIKey |
ALNYGGOIUJUKCH-OAHLLOKOSA-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