General Information of the Compound
| Compound ID |
CP0426222
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| Compound Name |
(2S)-5-chloro-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-fluorophenyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C28H26ClF2NO3
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| Molecular Weight |
497.969
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(O)c(Cl)c12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26ClF2NO3/c1-17-25(19-2-6-21(31)7-3-19)28(35-24-11-10-23(33)27(29)26(17)24)20-4-8-22(9-5-20)34-13-12-32-15-18(14-30)16-32/h2-11,18,28,33H,12-16H2,1H3/t28-/m0/s1
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| InChIKey |
LPHCWTREHFMQPF-NDEPHWFRSA-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