Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9W3CG
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| Ligand Name |
(1s,6r)-10-(1,3-Benzothiazol-6-Ylsulfonyl)-3-[2-(3,4-Dimethoxyphenoxy)ethyl]-3,10-Diazabicyclo[4.3.1]decan-2-One
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| Synonyms |
(1s,6r)-10-(1,3-Benzothiazol-6-Ylsulfonyl)-3-[2-(3,4-Dimethoxyphenoxy)ethyl]-3,10-Diazabicyclo[4.3.1]decan-2-One; 4jfj; Q27452185; 1KU
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| Structure |
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Download2D MOL |
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| Formula |
C25H29N3O6S2
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| Canonical SMILES |
COC1=C(C=C(C=C1)OCCN2CCC3CCCC(C2=O)N3S(=O)(=O)C4=CC5=C(C=C4)N=CS5)OC
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| InChI |
1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3/t17-,21+/m1/s1
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| InChIKey |
TYHBYWWSKXMBHC-UTKZUKDTSA-N
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| PubChem Compound ID | ||||
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