Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD4IC0
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| Ligand Name |
N-[[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-[2-[[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methylamino]-2-oxoethoxy]acetamide
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| Synonyms |
2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide); CHEMBL4249291; 6NC
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| Structure |
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Download2D MOL
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| Formula |
C52H46F4N8O9S2
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| Canonical SMILES |
CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)CNC(=O)COCC(=O)NCC5=CC=C(C=C5)C6=CC7=C(NC=C7C(=O)C8=C(C=CC(=C8F)NS(=O)(=O)CCC)F)N=C6)F
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| InChI |
1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62)
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| InChIKey |
XUDXUMMIEQQIQT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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