General Information of the Compound
| Compound ID |
CP0163998
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| Compound Name |
3-(4-Methoxy-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 |
C28H31NO4S
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| Molecular Weight |
477.626
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| Canonical SMILES |
COc1ccc(cc1)C1Sc2cc(O)ccc2OC1c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H31NO4S/c1-31-23-10-7-21(8-11-23)28-27(33-25-14-9-22(30)19-26(25)34-28)20-5-12-24(13-6-20)32-18-17-29-15-3-2-4-16-29/h5-14,19,27-28,30H,2-4,15-18H2,1H3
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| InChIKey |
DVAHOHVVLYMDAM-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