General Information of the Compound
| Compound ID |
CP0520586
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| Compound Name |
US8952150, 118
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| Structure |
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| Formula |
C34H34N8O4
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| Molecular Weight |
618.698
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C34H34N8O4/c43-29-17-15-28(16-18-29)39-34-41-32(36-20-22-46-21-19-35-30(44)25-9-5-2-6-10-25)40-33(42-34)38-27-13-11-26(12-14-27)31(45)37-23-24-7-3-1-4-8-24/h1-18,43H,19-23H2,(H,35,44)(H,37,45)(H3,36,38,39,40,41,42)
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| InChIKey |
ZEPIQVOCAFUEQH-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