General Information of the Compound
| Compound ID |
CP0550530
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| Compound Name |
US8933079, 11.3
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
COc1ccc(COc2ccn(CC(=O)c3ccc(CN4CCCC4)cc3C)c(=O)c2)nc1
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| InChI |
InChI=1S/C26H29N3O4/c1-19-13-20(16-28-10-3-4-11-28)5-8-24(19)25(30)17-29-12-9-22(14-26(29)31)33-18-21-6-7-23(32-2)15-27-21/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3
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| InChIKey |
WOJJCWUUTIVMAS-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