Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L93GPN
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| Ligand Name |
2-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-8-[2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrimidin-4-Yl]-2,3,4,5-Tetrahydro-1h-Pyrrolo[1,2-A][1,4]diazepin-1-One
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| Synonyms |
CHEMBL3608588; 2-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-8-[2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrimidin-4-Yl]-2,3,4,5-Tetrahydro-1h-Pyrrolo[1,2-A][1,4]diazepin-1-One; BDBM50115402; Q27455075; 4VG
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| Structure |
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Download2D MOL |
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| Formula |
C25H28ClN5O3
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| Canonical SMILES |
C1CN2C=C(C=C2C(=O)N(C1)C(CO)C3=CC(=CC=C3)Cl)C4=NC(=NC=C4)NC5CCOCC5
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| InChI |
1S/C25H28ClN5O3/c26-19-4-1-3-17(13-19)23(16-32)31-10-2-9-30-15-18(14-22(30)24(31)33)21-5-8-27-25(29-21)28-20-6-11-34-12-7-20/h1,3-5,8,13-15,20,23,32H,2,6-7,9-12,16H2,(H,27,28,29)/t23-/m1/s1
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| InChIKey |
KQDDJNKQTVYZHY-HSZRJFAPSA-N
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| PubChem Compound ID | ||||
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