General Information of the Compound
| Compound ID |
CP0564672
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-chromen-6-ol
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| Structure |
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| Formula |
C27H31FN2O3
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| Molecular Weight |
450.554
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)C1=CCNCC1
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| InChI |
InChI=1S/C27H31FN2O3/c1-18-24-14-22(31)4-7-25(24)33-27(26(18)20-8-10-29-11-9-20)21-2-5-23(6-3-21)32-13-12-30-16-19(15-28)17-30/h2-8,14,19,27,29,31H,9-13,15-17H2,1H3/t27-/m0/s1
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| InChIKey |
NCPOITJXVCKGQB-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