General Information of the Compound
Compound ID |
CP0491902
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Compound Name |
US9266877, 72
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Structure |
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Formula |
C37H33N7O6S2
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Molecular Weight |
735.848
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Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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InChI |
InChI=1S/C37H33N7O6S2/c45-35(41-37-39-30-9-2-3-10-31(30)51-37)28-8-5-7-24-14-15-42(23-29(24)28)33-13-12-27(34(40-33)36(46)47)26-20-38-43(22-26)21-25-6-1-4-11-32(25)52(48,49)44-16-18-50-19-17-44/h1-13,20,22H,14-19,21,23H2,(H,46,47)(H,39,41,45)
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InChIKey |
QOPPDAFHRPLEHJ-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