General Information of the Compound
| Compound ID |
CP0546817
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| Compound Name |
US8791272, 7.5
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2C)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C26H25N3O3/c1-16-12-23(27-26(32)21-9-8-19-6-4-5-7-20(19)13-21)11-10-22(16)15-29-18(3)24(14-25(30)31)17(2)28-29/h4-13H,14-15H2,1-3H3,(H,27,32)(H,30,31)
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| InChIKey |
JSAMABZKHDGRRF-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