General Information of the Compound
| Compound ID |
CP0559160
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| Compound Name |
US8952150, 86
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| Structure |
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| Formula |
C42H42N8O5
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| Molecular Weight |
738.849
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3ccccc3-c3ccccc3)n2)cc1
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| InChI |
InChI=1S/C42H42N8O5/c51-36-21-19-35(20-22-36)47-42-49-40(44-24-26-55-28-27-54-25-23-43-38(52)31-11-5-2-6-12-31)48-41(50-42)46-34-17-15-32(16-18-34)39(53)45-29-33-13-7-8-14-37(33)30-9-3-1-4-10-30/h1-22,51H,23-29H2,(H,43,52)(H,45,53)(H3,44,46,47,48,49,50)
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| InChIKey |
RLYAECUFKLSXOT-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