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BioLiP

PDB CCD ID: OYF
Number of entries in BioLiP: 3
Chemical formula: C18 H14 Cl N3 O2
InChI: InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1
InChIKey: KCXBRLJFVUQUIR-CQSZACIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4cnccc34)c2c1
ACDLabs 12.01Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cncc4c3ccnc4
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3ccnc4
CACTVS 3.385Clc1ccc2OCC[CH](C(=O)Nc3cncc4cnccc34)c2c1
Name:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
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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