General Information of the Compound
Compound ID |
CP0425563
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Compound Name |
US9266877, 24
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Structure |
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Formula |
C34H25N7O3S
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Molecular Weight |
611.687
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Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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InChI |
InChI=1S/C34H25N7O3S/c35-16-21-5-3-6-22(15-21)18-41-19-24(17-36-41)25-11-12-30(38-31(25)33(43)44)40-14-13-23-7-4-8-26(27(23)20-40)32(42)39-34-37-28-9-1-2-10-29(28)45-34/h1-12,15,17,19H,13-14,18,20H2,(H,43,44)(H,37,39,42)
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InChIKey |
YGDQXXYIDGSSFU-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