General Information of the Compound
| Compound ID |
CP0403360
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| Compound Name |
3-[2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-chromen-7-yl]-6-(2,2,2-trifluoroethyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
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| Structure |
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| Formula |
C24H20F4N4O3
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| Molecular Weight |
488.441
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| Canonical SMILES |
Cc1cc2CCC(Oc2cc1N1Cc2cn(CC(F)(F)F)c(=O)cc2NC1=O)c1ncccc1F
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| InChI |
InChI=1S/C24H20F4N4O3/c1-13-7-14-4-5-19(22-16(25)3-2-6-29-22)35-20(14)9-18(13)32-11-15-10-31(12-24(26,27)28)21(33)8-17(15)30-23(32)34/h2-3,6-10,19H,4-5,11-12H2,1H3,(H,30,34)
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| InChIKey |
LLMKEJJSPOWDTI-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