General Information of the Compound
| Compound ID |
CP0550096
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| Compound Name |
US8952150, 105
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| Structure |
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| Formula |
C36H37FN8O5
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| Molecular Weight |
680.741
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3cccc(F)c3)n2)cc1
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| InChI |
InChI=1S/C36H37FN8O5/c37-28-8-4-5-25(23-28)24-40-33(48)27-9-11-29(12-10-27)41-35-43-34(44-36(45-35)42-30-13-15-31(46)16-14-30)39-18-20-50-22-21-49-19-17-38-32(47)26-6-2-1-3-7-26/h1-16,23,46H,17-22,24H2,(H,38,47)(H,40,48)(H3,39,41,42,43,44,45)
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| InChIKey |
COUUDULVCFAFKM-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