Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L83ZPJ
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| Ligand Name |
6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-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-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one; CHEMBL4847468; SCHEMBL18793377; BDBM417432; US10457669, Example 43; 6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin-4- yl}-2-[2-oxo-2-(2,3,4,5- tetrahydro-1H-2- benzazepin-2- yl)ethyl]-2,3-dihydro- 1H-isoindol-1-one; UNW
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| Structure |
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Download2D MOL |
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| Formula |
C29H30ClN5O3
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| Canonical SMILES |
C1CC2=CC=CC=C2CN(C1)C(=O)CN3CC4=C(C3=O)C=C(C=C4)C5=NC(=NC=C5Cl)NC6CCOCC6
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| InChI |
1S/C29H30ClN5O3/c30-25-15-31-29(32-23-9-12-38-13-10-23)33-27(25)20-7-8-22-17-35(28(37)24(22)14-20)18-26(36)34-11-3-6-19-4-1-2-5-21(19)16-34/h1-2,4-5,7-8,14-15,23H,3,6,9-13,16-18H2,(H,31,32,33)
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| InChIKey |
IGCMZDAOWJBAOH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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