Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LKNE81
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| Ligand Name |
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
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| Synonyms |
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide; Y6A; CHEMBL5092270; ML300-based SC inhibitor 19; BDBM479480
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| Structure |
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Download2D MOL |
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| Formula |
C22H18N6OS
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| Canonical SMILES |
C1=CC=C2C(=C1)N=NN2CC(=O)N(CC3=CSC=C3)C4=CC=C(C=C4)C5=CNN=C5
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| InChI |
1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24)
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| InChIKey |
PYVQFTGANJRGEP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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