General Information of the Compound
| Compound ID |
CP0561903
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| Compound Name |
US8952150, 136
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| Structure |
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| Formula |
C34H33FN8O4
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| Molecular Weight |
636.688
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCNC(=O)c3ccc(F)cc3)nc(Nc3ccc(cc3)C(=O)NCc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C34H33FN8O4/c35-26-10-6-24(7-11-26)30(45)36-18-20-47-21-19-37-32-41-33(43-34(42-32)40-28-14-16-29(44)17-15-28)39-27-12-8-25(9-13-27)31(46)38-22-23-4-2-1-3-5-23/h1-17,44H,18-22H2,(H,36,45)(H,38,46)(H3,37,39,40,41,42,43)
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| InChIKey |
NERDMWOUEPMVPG-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