General Information of the Compound
| Compound ID |
CP0463968
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| Compound Name |
US8791272, 1.5
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)cc1
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| InChI |
InChI=1S/C22H23N3O4/c1-14-20(12-21(26)27)15(2)25(24-14)13-16-4-8-18(9-5-16)23-22(28)17-6-10-19(29-3)11-7-17/h4-11H,12-13H2,1-3H3,(H,23,28)(H,26,27)
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| InChIKey |
UYWQZYLBQGJDLM-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