General Information of the Compound
| Compound ID |
CP0561001
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| Compound Name |
US9266877, 66
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| Structure |
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| Formula |
C33H32N6O4S
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| Molecular Weight |
608.724
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| Canonical SMILES |
Cc1c(cnn1CC1CCCOC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H32N6O4S/c1-20-25(16-34-39(20)17-21-6-5-15-43-19-21)23-11-12-29(36-30(23)32(41)42)38-14-13-22-7-4-8-24(26(22)18-38)31(40)37-33-35-27-9-2-3-10-28(27)44-33/h2-4,7-12,16,21H,5-6,13-15,17-19H2,1H3,(H,41,42)(H,35,37,40)
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| InChIKey |
GXSMBNWKCTYDEF-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