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BioLiP Library

PDB CCD ID: 8HR
Number of entries in BioLiP: 1
Chemical formula: C24 H24 Cl N3 O3
InChI: InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3
InChIKey: KSURKAFQFJOCBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(Cl)cc(nc3c2)c4ccccc4
OpenEye OEToolkits 2.0.6CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4
Name:propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate
ChEMBL: CHEMBL4551647
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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