Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA5SE2
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| Ligand Name |
1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione
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| Synonyms |
CHEMBL4566742; 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione; E8H; SCHEMBL5553461; BDBM50527524
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| Structure |
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Download2D MOL |
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| Formula |
C27H32N4O6
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O)OC
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| InChI |
1S/C27H32N4O6/c1-36-21-8-7-17(15-22(21)37-2)26-19-5-3-4-6-20(19)27(35)31(28-26)18-11-13-29(14-12-18)25(34)16-30-23(32)9-10-24(30)33/h3-4,7-8,15,18-20H,5-6,9-14,16H2,1-2H3/t19-,20+/m0/s1
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| InChIKey |
BLRZNXZBGGTDMQ-VQTJNVASSA-N
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| PubChem Compound ID | ||||
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