Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4JY3V
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| Ligand Name |
(4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
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| Synonyms |
CHEMBL4460623; (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one; BDBM50527554
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| Structure |
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Download2D MOL |
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| Formula |
C27H30N6O3S
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C5=C6C=CSC6=NC(=N5)N)OC
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| InChI |
1S/C27H30N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)24-20-11-14-37-25(20)30-27(28)29-24/h3-4,7-8,11,14-15,17-19H,5-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1
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| InChIKey |
VRSCGUCAJHMOSB-RBUKOAKNSA-N
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| PubChem Compound ID | ||||
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