Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI4R2B
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| Ligand Name |
(2S,3R)-3-(4-Hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL
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| Synonyms |
(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL; CHEMBL180300; 1xp9; AIJ; SCHEMBL2929789; BDBM50157156; DB02715; Q27457284; (2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-((S)-2-pyrrolidin-1-yl-propoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol; (2S,3R)-3-(4-hydroxyphenyl)-2-(4-((S)-2-(pyrrolidin-1-yl)propoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol; (2S,3R)-3-(4hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
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| Structure |
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Download2D MOL |
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| Formula |
C27H29NO4S
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| Canonical SMILES |
CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCC5
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| InChI |
1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1
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| InChIKey |
UZOOIPXOYYJULJ-RHLLTPQKSA-N
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| PubChem Compound ID | ||||
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