7AE
N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide
Find entries where: 7AE
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide |
Identifiers | ~{N}-[2-[4-[(2~{S})-4-methylsulfonylmorpholin-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-phenyl]-1~{H}-imidazole-2-carboxamide |
Formula | C22 H26 N6 O5 S2 |
Molecular Weight | 518.609 |
Type | NON-POLYMER |
Isomeric SMILES | CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5 |
InChI | InChI=1S/C22H26N6O5S2/c1-35(30,31)28-8-11-33-19(13-28)18-14-34-22(26-18)16-12-15(27-6-9-32-10-7-27)2-3-17(16)25-21(29)20-23-4-5-24-20/h2-5,12,14,19H,6-11,13H2,1H3,(H,23,24)(H,25,29)/t19-/m0/s1 |
InChIKey | WWTNLDQWEKRXNB-IBGZPJMESA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 61 |
Chiral Atom Count | 1 |
Bond Count | 65 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4094158 |
PubChem | 124037112 |
ChEMBL | CHEMBL4094158 |