General Information of the Compound
| Compound ID |
CP0566298
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| Compound Name |
US9266877, 106
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| Structure |
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| Formula |
C36H28N4O3S
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| Molecular Weight |
596.712
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H28N4O3S/c41-34(39-36-37-30-14-4-5-15-31(30)44-36)28-13-7-11-25-18-19-40(22-29(25)28)32-17-16-27(33(38-32)35(42)43)26-12-6-10-24(21-26)20-23-8-2-1-3-9-23/h1-17,21H,18-20,22H2,(H,42,43)(H,37,39,41)
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| InChIKey |
QLBWCJRXBWLAFR-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