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BioLiP

PDB CCD ID: 62V
Number of entries in BioLiP: 1
Chemical formula: C18 H13 Cl N2 O
InChI: InChI=1S/C18H13ClN2O/c1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKey: LVBAGZIAQBWUJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl
CACTVS 3.385Cc1noc2CN=C(c3ccc(Cl)cc3)c4ccccc4c12
ACDLabs 12.01c1c(ccc(c1)Cl)C=2c4c(c3c(CN=2)onc3C)cccc4
Name:6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine
ChEMBL: CHEMBL5281776
ZINC: ZINC000146408371
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).
  • 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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