Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L90QNT
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| Ligand Name |
(2S,3R)-2-(4-{2-[(3R,4R)-3,4-Dimethylpyrrolidin-1-YL]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL
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| Synonyms |
CHEMBL182980; (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL; 1xp1; BDBM50157166; AIH; Q27457283; (2S,3R)-2-[4-[2-[(3R,4R)-3,4-Dimethylpyrrolidine-1-yl]ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzooxathiin-6-ol; (2S,3R)-2-{4-[2-((R)-3,4-Dimethyl-pyrrolidin-1-yl)-ethoxy]-phenyl}-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
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| Structure |
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Download2D MOL |
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| Formula |
C28H31NO4S
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| Canonical SMILES |
CC1CN(CC1C)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O
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| InChI |
1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27-,28+/m0/s1
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| InChIKey |
COJFASLRENZFLP-UXHLOXSISA-N
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| PubChem Compound ID | ||||
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