General Information of the Compound
| Compound ID |
CP0425539
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| Compound Name |
US9266877, 188
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| Structure |
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| Formula |
C37H28N6O3S
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| Molecular Weight |
636.737
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)c2cnccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H28N6O3S/c44-35(41-37-39-30-11-4-5-12-32(30)47-37)27-10-6-9-24-16-18-42(21-28(24)27)33-14-13-26(34(40-33)36(45)46)29-22-43(20-23-7-2-1-3-8-23)31-19-38-17-15-25(29)31/h1-15,17,19,22H,16,18,20-21H2,(H,45,46)(H,39,41,44)
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| InChIKey |
CBHXLAKEKNTGEO-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