Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE18TH
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| Ligand Name |
2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide
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| Synonyms |
2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide; CHEMBL4205248; SCHEMBL20720229
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| Structure |
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Download2D MOL |
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| Formula |
C27H28ClN5O4
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| Canonical SMILES |
C1COCCC1NC2=NC=C(C(=N2)C3=CC4=C(CN(C4=O)CC(=O)NC(CO)C5=CC=CC=C5)C=C3)Cl
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| InChI |
1S/C27H28ClN5O4/c28-22-13-29-27(30-20-8-10-37-11-9-20)32-25(22)18-6-7-19-14-33(26(36)21(19)12-18)15-24(35)31-23(16-34)17-4-2-1-3-5-17/h1-7,12-13,20,23,34H,8-11,14-16H2,(H,31,35)(H,29,30,32)/t23-/m1/s1
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| InChIKey |
MWUVKGXBEJSWSJ-HSZRJFAPSA-N
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| PubChem Compound ID | ||||
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