General Information of the Compound
| Compound ID |
CP0402277
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-fluorophenyl)-4-methyl-2H-chromen-8-ol
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| Structure |
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| Formula |
C28H27F2NO3
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| Molecular Weight |
463.524
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| Canonical SMILES |
CC1=C([C@@H](Oc2c(O)cccc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H27F2NO3/c1-18-24-3-2-4-25(32)28(24)34-27(26(18)20-5-9-22(30)10-6-20)21-7-11-23(12-8-21)33-14-13-31-16-19(15-29)17-31/h2-12,19,27,32H,13-17H2,1H3/t27-/m0/s1
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| InChIKey |
AIFNNQKPDNXNTJ-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