General Information of the Compound
| Compound ID |
CP0539139
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| Compound Name |
US9266877, 184
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| Structure |
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| Formula |
C37H40N6O4S
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| Molecular Weight |
664.832
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| Canonical SMILES |
COCCC(C1CCCCC1)n1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H40N6O4S/c1-23-28(21-38-43(23)31(18-20-47-2)25-9-4-3-5-10-25)26-15-16-33(40-34(26)36(45)46)42-19-17-24-11-8-12-27(29(24)22-42)35(44)41-37-39-30-13-6-7-14-32(30)48-37/h6-8,11-16,21,25,31H,3-5,9-10,17-20,22H2,1-2H3,(H,45,46)(H,39,41,44)
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| InChIKey |
SKHSPSKRCVMLKT-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