General Information of the Compound
| Compound ID |
CP0550094
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| Compound Name |
US8952150, 16
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| Structure |
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| Formula |
C33H40N8O5
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| Molecular Weight |
628.734
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1
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| InChI |
InChI=1S/C33H40N8O5/c1-33(2,3)41-29(44)24-9-11-25(12-10-24)36-31-38-30(39-32(40-31)37-26-13-15-27(42)16-14-26)35-18-20-46-22-21-45-19-17-34-28(43)23-7-5-4-6-8-23/h4-16,42H,17-22H2,1-3H3,(H,34,43)(H,41,44)(H3,35,36,37,38,39,40)
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| InChIKey |
DANQZEWYCUXHEU-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