General Information of the Compound
| Compound ID |
CP0493847
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| Compound Name |
3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-N-[4-(methylcarbamoyl)phenyl]benzamide
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| Structure |
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| Formula |
C28H24N6O4S
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| Molecular Weight |
540.605
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| Canonical SMILES |
CNC(=O)c1ccc(NC(=O)c2cccc(c2)-c2nc(Nc3ccc(OC)c(OC)c3)c3ncsc3n2)cc1
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| InChI |
InChI=1S/C28H24N6O4S/c1-29-26(35)16-7-9-19(10-8-16)32-27(36)18-6-4-5-17(13-18)24-33-25(23-28(34-24)39-15-30-23)31-20-11-12-21(37-2)22(14-20)38-3/h4-15H,1-3H3,(H,29,35)(H,32,36)(H,31,33,34)
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| InChIKey |
CBZCDEREIGGAMR-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