General Information of the Compound
| Compound ID |
CP0561773
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| Compound Name |
US8791272, 3.7
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)OCc3ccc4ccccc4c3)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C26H25N3O4/c1-17-24(14-25(30)31)18(2)29(28-17)15-19-8-11-23(12-9-19)27-26(32)33-16-20-7-10-21-5-3-4-6-22(21)13-20/h3-13H,14-16H2,1-2H3,(H,27,32)(H,30,31)
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| InChIKey |
DOMBXORPLMQAJK-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