Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC3TS6
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| Ligand Name |
6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one
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| Synonyms |
6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one; CHEMBL4850133; SCHEMBL18793650; BDBM417431; US10457669, Example 42; 6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin-4- yl}-2-[2-oxo-2-(2,3,4,5- tetrahydro-1H-3- benzazepin-3- yl)ethyl]-2,3-dihydro- 1H-isoindol-1-one; UO5
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| Structure |
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Download2D MOL |
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| Formula |
C29H30ClN5O3
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| Canonical SMILES |
C1COCCC1NC2=NC=C(C(=N2)C3=CC4=C(CN(C4=O)CC(=O)N5CCC6=CC=CC=C6CC5)C=C3)Cl
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| InChI |
1S/C29H30ClN5O3/c30-25-16-31-29(32-23-9-13-38-14-10-23)33-27(25)21-5-6-22-17-35(28(37)24(22)15-21)18-26(36)34-11-7-19-3-1-2-4-20(19)8-12-34/h1-6,15-16,23H,7-14,17-18H2,(H,31,32,33)
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| InChIKey |
CDIPSADLEIZARJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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