Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ4ZT8
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| Ligand Name |
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-4-Oxoquinazolin-3(4h)-Yl}methyl)benzonitrile
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| Synonyms |
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-4-Oxoquinazolin-3(4h)-Yl}methyl)benzonitrile; 940907-93-7; Benzonitrile,2-[[2-[(3R)-3-amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl]methyl]-; CHEMBL227954; quinazolinone-based inhibitor 1a; SCHEMBL21067637; BDBM16272; Benzonitrile, 2-[[2-[(3R)-3-amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl]methyl]-; ZINC6716417; DB08588; Q27097790; 2-[(3R)-3-Aminopiperidino]-3-(2-cyanobenzyl)quinazoline-4(3H)-one; 2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
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| Structure |
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Download2D MOL |
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| Formula |
C21H21N5O
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| Canonical SMILES |
C1CC(CN(C1)C2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C#N)N
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| InChI |
1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1
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| InChIKey |
OYNURZXTLNNKAP-QGZVFWFLSA-N
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| PubChem Compound ID | ||||
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