General Information of the Compound
| Compound ID |
CP0550944
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| Compound Name |
3-(fluoromethyl)-1-[2-[4-[(2S)-3-(4-fluorophenyl)-6-methoxy-4-methyl-2H-chromen-2-yl]phenoxy]ethyl]azetidine
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| Structure |
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| Formula |
C29H29F2NO3
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| Molecular Weight |
477.551
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| Canonical SMILES |
COc1ccc2O[C@H](C(=C(C)c2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C29H29F2NO3/c1-19-26-15-25(33-2)11-12-27(26)35-29(28(19)21-3-7-23(31)8-4-21)22-5-9-24(10-6-22)34-14-13-32-17-20(16-30)18-32/h3-12,15,20,29H,13-14,16-18H2,1-2H3/t29-/m0/s1
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| InChIKey |
XAUTYXZJWZRUQM-LJAQVGFWSA-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