Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBTR52
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| Ligand Name |
3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one
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| Synonyms |
CHEMBL4278109; 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one; SCHEMBL1918501; BDBM50469400; KK4
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| Structure |
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Download2D MOL |
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| Formula |
C30H28N4O3
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| Canonical SMILES |
CCCC1=NC2=C(C=CC=C2N1CC3=CC4=C(C=C3)C(=C(C)C5=NOC(=O)N5)C6=CC=CC=C6OC4)C
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| InChI |
1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+
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| InChIKey |
KWALRLFFHWLMRU-ZXVVBBHZSA-N
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| PubChem Compound ID | ||||
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