General Information of the Compound
| Compound ID |
CP0573646
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| Compound Name |
3-fluoro-4-[6-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzonitrile
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| Structure |
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| Formula |
C25H21FN4O3
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| Molecular Weight |
444.466
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C25H21FN4O3/c1-14-17(4-5-18-20(14)13-33-25(18)32)23(31)12-30-7-6-22-16(11-30)10-28-24(29-22)19-3-2-15(9-27)8-21(19)26/h2-5,8,10,23,31H,6-7,11-13H2,1H3
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| InChIKey |
KFYMNCSIHSKAHV-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