General Information of the Compound
| Compound ID |
CP0520585
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| Compound Name |
US8952150, 69
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| Structure |
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| Formula |
C36H37N7O6
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| Molecular Weight |
663.735
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)OCc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C36H37N7O6/c44-31-17-15-30(16-18-31)40-36-42-34(38-20-22-48-24-23-47-21-19-37-32(45)27-9-5-2-6-10-27)41-35(43-36)39-29-13-11-28(12-14-29)33(46)49-25-26-7-3-1-4-8-26/h1-18,44H,19-25H2,(H,37,45)(H3,38,39,40,41,42,43)
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| InChIKey |
FOSDZHUGLXIKED-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