General Information of the Compound
| Compound ID |
CP0124500
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| Compound Name |
3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol
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| Structure |
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| Formula |
C27H28FNO3S
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| Molecular Weight |
465.59
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| Canonical SMILES |
Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H28FNO3S/c28-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-29-14-2-1-3-15-29/h4-13,18,26-27,30H,1-3,14-17H2
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| InChIKey |
PXQIHYPEOSFFBY-UHFFFAOYSA-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