General Information of the Compound
| Compound ID |
CP0551143
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| Compound Name |
US8952150, 44
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| Structure |
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| Formula |
C35H44N8O5
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| Molecular Weight |
656.788
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| Canonical SMILES |
CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1
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| InChI |
InChI=1S/C35H44N8O5/c1-2-3-4-8-19-36-32(46)27-11-13-28(14-12-27)39-34-41-33(42-35(43-34)40-29-15-17-30(44)18-16-29)38-21-23-48-25-24-47-22-20-37-31(45)26-9-6-5-7-10-26/h5-7,9-18,44H,2-4,8,19-25H2,1H3,(H,36,46)(H,37,45)(H3,38,39,40,41,42,43)
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| InChIKey |
ZGDSIUHHHWBBPW-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