General Information of the Compound
Compound ID |
CP0478775
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Compound Name |
US9266877, 141
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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)c2ncccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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InChI |
InChI=1S/C37H28N6O3S/c44-35(41-37-39-30-13-4-5-14-31(30)47-37)27-11-6-10-24-17-19-42(21-28(24)27)32-16-15-25(33(40-32)36(45)46)29-22-43(20-23-8-2-1-3-9-23)34-26(29)12-7-18-38-34/h1-16,18,22H,17,19-21H2,(H,45,46)(H,39,41,44)
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InChIKey |
LSVXVZQLNGDGSL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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