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BioLiP

PDB CCD ID: RQV
Number of entries in BioLiP: 0
Chemical formula: C23 H22 N4 O2
InChI: InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28)
InChIKey: VDYYVNHJRNDKDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC(=O)C)cc4
CACTVS 3.385CC(=O)Nc1ccc(cc1)c2cc(CN3CCOCC3)c4ccc(cc4n2)C#N
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4
Name:N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
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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