General Information of the Compound
| Compound ID |
CP0402298
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-2H-chromen-6-ol
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| Structure |
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| Formula |
C27H26FNO4
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| Molecular Weight |
447.506
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| Canonical SMILES |
Oc1cccc(c1)C1=Cc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C27H26FNO4/c28-15-18-16-29(17-18)10-11-32-24-7-4-19(5-8-24)27-25(20-2-1-3-22(30)12-20)14-21-13-23(31)6-9-26(21)33-27/h1-9,12-14,18,27,30-31H,10-11,15-17H2/t27-/m0/s1
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| InChIKey |
OLNDKPDQNWBXKW-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