General Information of the Compound
| Compound ID |
CP0551147
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| Compound Name |
US8952150, 137
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| Structure |
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| Formula |
C35H36N8O5
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| Molecular Weight |
648.724
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(cc2)C(=O)NCc2ccccc2)n1
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| InChI |
InChI=1S/C35H36N8O5/c1-47-30-17-9-26(10-18-30)31(45)36-19-21-48-22-20-37-33-41-34(43-35(42-33)40-28-13-15-29(44)16-14-28)39-27-11-7-25(8-12-27)32(46)38-23-24-5-3-2-4-6-24/h2-18,44H,19-23H2,1H3,(H,36,45)(H,38,46)(H3,37,39,40,41,42,43)
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| InChIKey |
PEBZHGFGFOEPNK-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