General Information of the Compound
| Compound ID |
CP0405525
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| Compound Name |
1-(2,6-difluoro-benzyl)-7-(2-methoxy-benzyl)-3-(3-methoxy-phenyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H27F2N3O4
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| Molecular Weight |
519.548
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccccc3OC)Cc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C29H27F2N3O4/c1-37-21-9-5-8-20(15-21)34-28(35)22-13-14-32(16-19-7-3-4-12-27(19)38-2)18-26(22)33(29(34)36)17-23-24(30)10-6-11-25(23)31/h3-12,15H,13-14,16-18H2,1-2H3
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| InChIKey |
PEXHHDHUNIQRFK-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