General Information of the Compound
| Compound ID |
CP0522471
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| Compound Name |
5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-3-isobutyl-6-(4-methoxy-phenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione; HCL
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| Structure |
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| Formula |
C33H33F2N3O3S
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| Molecular Weight |
589.708
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| Canonical SMILES |
COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(CC(C)C)c(=O)c2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C33H33F2N3O3S/c1-21(2)17-37-31(39)29-26(19-36(3)18-22-9-6-5-7-10-22)30(23-13-15-24(41-4)16-14-23)42-32(29)38(33(37)40)20-25-27(34)11-8-12-28(25)35/h5-16,21H,17-20H2,1-4H3
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| InChIKey |
OGNOFGYQGNFIMU-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