General Information of the Compound
| Compound ID |
CP0512761
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| Compound Name |
US8952150, 99
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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)NCc3ccc(F)cc3)n2)cc1
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| InChI |
InChI=1S/C36H37FN8O5/c37-28-10-6-25(7-11-28)24-40-33(48)27-8-12-29(13-9-27)41-35-43-34(44-36(45-35)42-30-14-16-31(46)17-15-30)39-19-21-50-23-22-49-20-18-38-32(47)26-4-2-1-3-5-26/h1-17,46H,18-24H2,(H,38,47)(H,40,48)(H3,39,41,42,43,44,45)
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| InChIKey |
KBZDTVRBFCWJHU-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