General Information of the Compound
| Compound ID |
CP0436462
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| Compound Name |
1-[[2-(4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
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| Structure |
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| Formula |
C19H15FN4O2S
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| Molecular Weight |
382.42
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| Canonical SMILES |
CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2ccc(F)cc2)C1=O
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| InChI |
InChI=1S/C19H15FN4O2S/c1-9-8-14(25)24(19(9)26)23-17-15-10(2)11(3)27-18(15)22-16(21-17)12-4-6-13(20)7-5-12/h4-8H,1-3H3,(H,21,22,23)
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| InChIKey |
MMVNPDWREAXZJR-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