General Information of the Compound
| Compound ID |
CP0555907
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| Compound Name |
US8952150, 143
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| Structure |
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| Formula |
C36H36F2N8O5
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| Molecular Weight |
698.731
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3ccc(F)cc3)n2)cc1F
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| InChI |
InChI=1S/C36H36F2N8O5/c37-27-10-6-24(7-11-27)23-41-33(49)26-8-12-28(13-9-26)42-35-44-34(45-36(46-35)43-29-14-15-31(47)30(38)22-29)40-17-19-51-21-20-50-18-16-39-32(48)25-4-2-1-3-5-25/h1-15,22,47H,16-21,23H2,(H,39,48)(H,41,49)(H3,40,42,43,44,45,46)
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| InChIKey |
MJEVARHXAVHJTA-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