General Information of the Compound
| Compound ID |
CP0575617
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| Compound Name |
US8952150, 65
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| Structure |
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| Formula |
C36H44N10O4
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| Molecular Weight |
680.814
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| Canonical SMILES |
CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc4[nH]ncc4c3)n2)cc1
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| InChI |
InChI=1S/C36H44N10O4/c1-2-3-4-8-17-37-33(48)27-11-13-29(14-12-27)41-35-43-34(44-36(45-35)42-30-15-16-31-28(24-30)25-40-46-31)39-19-21-50-23-22-49-20-18-38-32(47)26-9-6-5-7-10-26/h5-7,9-16,24-25H,2-4,8,17-23H2,1H3,(H,37,48)(H,38,47)(H,40,46)(H3,39,41,42,43,44,45)
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| InChIKey |
MOMUDORSDOUUSA-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