General Information of the Compound
| Compound ID |
CP0523333
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| Compound Name |
US9266877, 33
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| Structure |
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| Formula |
C37H32N6O5S
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| Molecular Weight |
672.767
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| Canonical SMILES |
CCOC(=O)c1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H32N6O5S/c1-3-48-36(47)33-31(22(2)43(41-33)20-23-10-5-4-6-11-23)26-16-17-30(39-32(26)35(45)46)42-19-18-24-12-9-13-25(27(24)21-42)34(44)40-37-38-28-14-7-8-15-29(28)49-37/h4-17H,3,18-21H2,1-2H3,(H,45,46)(H,38,40,44)
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| InChIKey |
HIVZUGQRQKLYTK-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