General Information of the Compound
| Compound ID |
CP0382938
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| Compound Name |
3-(fluoromethyl)-1-[2-[4-[(2S)-4-methyl-3-phenyl-2H-chromen-2-yl]phenoxy]ethyl]azetidine
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| Structure |
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| Formula |
C28H28FNO2
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| Molecular Weight |
429.535
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccccc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H28FNO2/c1-20-25-9-5-6-10-26(25)32-28(27(20)22-7-3-2-4-8-22)23-11-13-24(14-12-23)31-16-15-30-18-21(17-29)19-30/h2-14,21,28H,15-19H2,1H3/t28-/m0/s1
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| InChIKey |
HZIXWJNHUOQKCX-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