General Information of the Compound
| Compound ID |
CP0550943
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| Compound Name |
5-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-4-methyl-2H-chromen-3-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C27H27FN2O4
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| Molecular Weight |
462.521
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C27H27FN2O4/c1-17-23-12-21(31)5-8-24(23)34-27(26(17)20-4-9-25(32)29-14-20)19-2-6-22(7-3-19)33-11-10-30-15-18(13-28)16-30/h2-9,12,14,18,27,31H,10-11,13,15-16H2,1H3,(H,29,32)/t27-/m0/s1
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| InChIKey |
BJGRDGPENKVACH-MHZLTWQESA-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