General Information of the Compound
| Compound ID |
CP0518834
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| Compound Name |
US9266877, 94
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| Structure |
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| Formula |
C37H34N6O4S
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| Molecular Weight |
658.784
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| Canonical SMILES |
COCCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H34N6O4S/c1-47-20-8-14-31(25-9-3-2-4-10-25)43-22-26(21-38-43)27-16-17-33(40-34(27)36(45)46)42-19-18-24-11-7-12-28(29(24)23-42)35(44)41-37-39-30-13-5-6-15-32(30)48-37/h2-7,9-13,15-17,21-22,31H,8,14,18-20,23H2,1H3,(H,45,46)(H,39,41,44)
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| InChIKey |
XCAYLVULFKHTMI-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