Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG5MH8
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| Ligand Name |
3-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]prop-2-ynamide
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| Synonyms |
CHEMBL4465919; BDBM50512592
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| Structure |
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Download2D MOL |
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| Formula |
C25H29N3O3
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)C#CC(=O)N
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| InChI |
1S/C25H29N3O3/c1-31-22-14-12-18(16-17(22)13-15-23(26)29)24-20-10-6-7-11-21(20)25(30)28(27-24)19-8-4-2-3-5-9-19/h6-7,12,14,16,19-21H,2-5,8-11H2,1H3,(H2,26,29)/t20-,21+/m0/s1
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| InChIKey |
YALZXZYFCQHHIY-LEWJYISDSA-N
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| PubChem Compound ID | ||||
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