General Information of the Compound
| Compound ID |
CP0565179
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| Compound Name |
6-benzyl-3-[2-(3-fluoropyridin-2-yl)-3,4-dihydro-2H-chromen-7-yl]-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
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| Structure |
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| Formula |
C28H23FN4O3
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| Molecular Weight |
482.515
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| Canonical SMILES |
Fc1cccnc1C1CCc2ccc(cc2O1)N1Cc2cn(Cc3ccccc3)c(=O)cc2NC1=O
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| InChI |
InChI=1S/C28H23FN4O3/c29-22-7-4-12-30-27(22)24-11-9-19-8-10-21(13-25(19)36-24)33-17-20-16-32(15-18-5-2-1-3-6-18)26(34)14-23(20)31-28(33)35/h1-8,10,12-14,16,24H,9,11,15,17H2,(H,31,35)
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| InChIKey |
SAEQNJAJAVMGRD-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