General Information of the Compound
| Compound ID |
CP0539810
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| Compound Name |
US9266877, 88
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| Structure |
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| Formula |
C36H38N6O4S
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| Molecular Weight |
650.805
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| Canonical SMILES |
COCCC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
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| InChI |
InChI=1S/C36H38N6O4S/c1-46-19-17-36(15-5-2-6-16-36)23-42-21-25(20-37-42)26-12-13-31(39-32(26)34(44)45)41-18-14-24-8-7-9-27(28(24)22-41)33(43)40-35-38-29-10-3-4-11-30(29)47-35/h3-4,7-13,20-21H,2,5-6,14-19,22-23H2,1H3,(H,44,45)(H,38,40,43)
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| InChIKey |
DFOALIBDSDZYOG-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