Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L5XF9I
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Ligand Name |
8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one
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Synonyms |
CHEMBL4246741; 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one; BDBM50464135; FZH
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Structure |
Download2D MOL |
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Formula |
C30H38N4O3S
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Canonical SMILES |
CC1=CC(=CN=C1)C2=C3C=C(C(=O)NC3=C(C=C2)NC4CC5CCC(C4CCC6CCS(=O)(=O)CC6)N5)C
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InChI |
1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1
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InChIKey |
RYLMNRNKGQACDG-PVRUFOIFSA-N
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PubChem Compound ID |
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