General Information of the Compound
| Compound ID |
CP0541861
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| Compound Name |
US8952150, 146
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| Structure |
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| Formula |
C37H37FN8O7
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| Molecular Weight |
724.75
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| Canonical SMILES |
OC(=O)c1cc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3ccc(F)cc3)n2)ccc1O
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| InChI |
InChI=1S/C37H37FN8O7/c38-27-10-6-24(7-11-27)23-41-33(49)26-8-12-28(13-9-26)42-36-44-35(45-37(46-36)43-29-14-15-31(47)30(22-29)34(50)51)40-17-19-53-21-20-52-18-16-39-32(48)25-4-2-1-3-5-25/h1-15,22,47H,16-21,23H2,(H,39,48)(H,41,49)(H,50,51)(H3,40,42,43,44,45,46)
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| InChIKey |
NMOOFXFFGAWTOY-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