General Information of the Compound
| Compound ID |
CP0566282
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| Compound Name |
US9266877, 156
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| Structure |
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| Formula |
C37H31N5O3S
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| Molecular Weight |
625.754
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| Canonical SMILES |
CN(c1ccccc1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H31N5O3S/c1-23-26(13-9-16-31(23)41(2)25-11-4-3-5-12-25)27-18-19-33(39-34(27)36(44)45)42-21-20-24-10-8-14-28(29(24)22-42)35(43)40-37-38-30-15-6-7-17-32(30)46-37/h3-19H,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
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| InChIKey |
GWKZRGVRRJRVKW-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