General Information of the Compound
| Compound ID |
CP0491632
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| Compound Name |
US9266877, 27
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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-c1cn(Cc2ccccc2)nc1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H25N7O3S/c35-17-28-26(20-41(39-28)18-21-7-2-1-3-8-21)23-13-14-30(37-31(23)33(43)44)40-16-15-22-9-6-10-24(25(22)19-40)32(42)38-34-36-27-11-4-5-12-29(27)45-34/h1-14,20H,15-16,18-19H2,(H,43,44)(H,36,38,42)
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| InChIKey |
OMYYCDWHOXJERQ-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