General Information of the Compound
| Compound ID |
CP0515074
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| Compound Name |
US9266877, 112
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| Structure |
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| Formula |
C37H36N4O4S
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| Molecular Weight |
632.786
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| Canonical SMILES |
Cc1c(OCC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H36N4O4S/c1-23-26(12-8-15-31(23)45-22-24-9-3-2-4-10-24)27-17-18-33(39-34(27)36(43)44)41-20-19-25-11-7-13-28(29(25)21-41)35(42)40-37-38-30-14-5-6-16-32(30)46-37/h5-8,11-18,24H,2-4,9-10,19-22H2,1H3,(H,43,44)(H,38,40,42)
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| InChIKey |
PGJLLHFSFHKZFB-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