General Information of the Compound
| Compound ID |
CP0402733
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| Compound Name |
US8791272, 3.2
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1CCC(O)=O
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| InChI |
InChI=1S/C23H25N3O4/c1-16-21(12-13-22(27)28)17(2)26(25-16)14-18-8-10-20(11-9-18)24-23(29)30-15-19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,24,29)(H,27,28)
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| InChIKey |
HVRBANGUBVDIQO-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