General Information of the Compound
| Compound ID |
CP0402296
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| Compound Name |
(2S)-4-ethyl-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 |
C29H30FNO4
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| Molecular Weight |
475.56
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| Canonical SMILES |
CCC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1
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| InChI |
InChI=1S/C29H30FNO4/c1-2-25-26-15-23(33)8-11-27(26)35-29(28(25)21-4-3-5-22(32)14-21)20-6-9-24(10-7-20)34-13-12-31-17-19(16-30)18-31/h3-11,14-15,19,29,32-33H,2,12-13,16-18H2,1H3/t29-/m0/s1
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| InChIKey |
GPWBWUDEEQTNEP-LJAQVGFWSA-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