General Information of the Compound
| Compound ID |
CP0540900
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| Compound Name |
(2S)-4-chloro-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 |
C27H25ClFNO4
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| Molecular Weight |
481.951
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| Canonical SMILES |
Oc1cccc(c1)C1=C(Cl)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C27H25ClFNO4/c28-26-23-13-21(32)6-9-24(23)34-27(25(26)19-2-1-3-20(31)12-19)18-4-7-22(8-5-18)33-11-10-30-15-17(14-29)16-30/h1-9,12-13,17,27,31-32H,10-11,14-16H2/t27-/m0/s1
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| InChIKey |
OLOHRZGPTUWGNE-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