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BioLiP

PDB CCD ID: TNW
Number of entries in BioLiP: 1
Chemical formula: C17 H16 Cl N3 O
InChI: InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
InChIKey: CQCXBTFANPRPTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl
CACTVS 3.385CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13
Name:7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
ChEMBL: CHEMBL5075691
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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