General Information of the Compound
| Compound ID |
CP0560784
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| Compound Name |
1-[2-[4-[(2S)-6-fluoro-3-(4-fluorophenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethyl]-3-(fluoromethyl)azetidine
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| Structure |
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| Formula |
C28H26F3NO2
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| Molecular Weight |
465.515
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(F)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F3NO2/c1-18-25-14-23(31)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-32-16-19(15-29)17-32/h2-11,14,19,28H,12-13,15-17H2,1H3/t28-/m0/s1
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| InChIKey |
PKKXVIBVLATPIB-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