Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LKU3W0
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| Ligand Name |
2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-YL)-phenoxy]-4-[1-amino-1-(1-methyl-1H-imidizol-5-YL)-ethyl]-benzonitrile
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| Synonyms |
CHEMBL294888; 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE; 1mzc; DPI-1; BDBM50143599; BNE; Q27458476; 4-[(S)-1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-[3-((S)-3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzonitrile
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| Structure |
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Download2D MOL |
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| Formula |
C28H33N5O2
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| Canonical SMILES |
CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)N)C#N
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| InChI |
1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1
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| InChIKey |
MHNMEERHZSPWFL-NSOVKSMOSA-N
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| PubChem Compound ID | ||||
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