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BioLiP

PDB CCD ID: FL7
Number of entries in BioLiP: 2
Chemical formula: C21 H23 Cl F N3 O
InChI: InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey: SAADBVWGJQAEFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
OpenEye OEToolkits 1.7.6CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl
ACDLabs 12.01Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl)cc12)CCN(CC)CC
Name:Flurazepam
ChEMBL: CHEMBL968
DrugBank: DB00690
ZINC: ZINC000000537752
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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