General Information of the Compound
| Compound ID |
CP0473151
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| Compound Name |
6-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H25F2N3O3S
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| Molecular Weight |
449.523
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| Canonical SMILES |
COc1cc(CCn2cnc3sc(CN4CCC(F)(F)C4)c(C)c3c2=O)cc(OC)c1
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| InChI |
InChI=1S/C22H25F2N3O3S/c1-14-18(11-26-7-5-22(23,24)12-26)31-20-19(14)21(28)27(13-25-20)6-4-15-8-16(29-2)10-17(9-15)30-3/h8-10,13H,4-7,11-12H2,1-3H3
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| InChIKey |
FENILTNNVRDUHN-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