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BioLiP

PDB CCD ID: 0T7
Number of entries in BioLiP: 2
Chemical formula: C25 H24 N4 O
InChI: InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3
InChIKey: GTARNYHXAGVZST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
OpenEye OEToolkits 1.7.6CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C
CACTVS 3.370CCCc1nc(C)c2n1c3ccc(OCc4ccc5ccccc5n4)cc3nc2C
Name:3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
ZINC: ZINC000095921213
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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