General Information of the Compound
| Compound ID |
CP0533142
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| Compound Name |
US8952150, 43
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| Structure |
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| Formula |
C37H46N8O7
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| Molecular Weight |
714.824
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| Canonical SMILES |
COC(=O)CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1
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| InChI |
InChI=1S/C37H46N8O7/c1-50-32(47)11-7-2-3-8-20-38-34(49)28-12-14-29(15-13-28)41-36-43-35(44-37(45-36)42-30-16-18-31(46)19-17-30)40-22-24-52-26-25-51-23-21-39-33(48)27-9-5-4-6-10-27/h4-6,9-10,12-19,46H,2-3,7-8,11,20-26H2,1H3,(H,38,49)(H,39,48)(H3,40,41,42,43,44,45)
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| InChIKey |
QUGOGIMKYSACGJ-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