General Information of the Compound
| Compound ID |
CP0450078
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| Compound Name |
US8791272, 1.13
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)\C=C\c3ccccc3)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H23N3O3/c1-16-21(14-23(28)29)17(2)26(25-16)15-19-8-11-20(12-9-19)24-22(27)13-10-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,24,27)(H,28,29)/b13-10+
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| InChIKey |
HHEFQSWJPLTEAD-JLHYYAGUSA-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