General Information of the Compound
| Compound ID |
CP0531261
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| Compound Name |
US9266877, 75
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| Structure |
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| Formula |
C39H30N6O3S
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| Molecular Weight |
662.775
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(c1)C(c1ccccc1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H30N6O3S/c46-37(43-39-41-32-16-7-8-17-33(32)49-39)30-15-9-14-25-20-21-44(24-31(25)30)34-19-18-29(35(42-34)38(47)48)28-22-40-45(23-28)36(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-19,22-23,36H,20-21,24H2,(H,47,48)(H,41,43,46)
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| InChIKey |
XCEIRVRTIKSVJV-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