General Information of the Compound
| Compound ID |
CP0479359
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| Compound Name |
US9266877, 98
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| Structure |
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| Formula |
C39H38N6O6S
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| Molecular Weight |
718.836
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| Canonical SMILES |
Cc1c(cnn1Cc1ccccc1OCC(C)(CO)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H38N6O6S/c1-24-29(18-40-45(24)19-26-8-3-5-12-32(26)51-23-39(2,21-46)22-47)27-14-15-34(42-35(27)37(49)50)44-17-16-25-9-7-10-28(30(25)20-44)36(48)43-38-41-31-11-4-6-13-33(31)52-38/h3-15,18,46-47H,16-17,19-23H2,1-2H3,(H,49,50)(H,41,43,48)
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| InChIKey |
DRZFSIXAJSILHC-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