Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7OAT4
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| Ligand Name |
methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
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| Synonyms |
CHEMBL4081335; methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate; SCHEMBL14874040; BDBM50250471; BVJ
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| Structure |
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Download2D MOL |
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| Formula |
C28H23ClFN7O4
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| Canonical SMILES |
COC(=O)NC1=CC=C(C=C1)NC(=O)C2C3=CC=CC=C3CCN2C(=O)C=CC4=C(C=CC(=C4F)Cl)N5C=NN=N5
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| InChI |
1S/C28H23ClFN7O4/c1-41-28(40)33-19-8-6-18(7-9-19)32-27(39)26-20-5-3-2-4-17(20)14-15-36(26)24(38)13-10-21-23(37-16-31-34-35-37)12-11-22(29)25(21)30/h2-13,16,26H,14-15H2,1H3,(H,32,39)(H,33,40)/b13-10+/t26-/m0/s1
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| InChIKey |
VNRXJEHYEMPJMV-ITMPFJHPSA-N
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| PubChem Compound ID | ||||
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