General Information of the Compound
| Compound ID |
CP0561772
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-[(E)-3-methoxyprop-1-enyl]-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C26H30FNO4
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| Molecular Weight |
439.527
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| Canonical SMILES |
COC\C=C\C1=C(C)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C26H30FNO4/c1-18-23(4-3-12-30-2)26(32-25-10-7-21(29)14-24(18)25)20-5-8-22(9-6-20)31-13-11-28-16-19(15-27)17-28/h3-10,14,19,26,29H,11-13,15-17H2,1-2H3/b4-3+/t26-/m0/s1
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| InChIKey |
IUUIMBVXEBTHCZ-JNMYPXEXSA-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