General Information of the Compound
| Compound ID |
CP0512760
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| Compound Name |
US8952150, 88
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| Structure |
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| Formula |
C37H40N8O6
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| Molecular Weight |
692.777
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| Canonical SMILES |
COc1cccc(CNC(=O)c2ccc(Nc3nc(NCCOCCOCCNC(=O)c4ccccc4)nc(Nc4ccc(O)cc4)n3)cc2)c1
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| InChI |
InChI=1S/C37H40N8O6/c1-49-32-9-5-6-26(24-32)25-40-34(48)28-10-12-29(13-11-28)41-36-43-35(44-37(45-36)42-30-14-16-31(46)17-15-30)39-19-21-51-23-22-50-20-18-38-33(47)27-7-3-2-4-8-27/h2-17,24,46H,18-23,25H2,1H3,(H,38,47)(H,40,48)(H3,39,41,42,43,44,45)
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| InChIKey |
XEHCXGWEPJKFNF-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