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BioLiP Library

PDB CCD ID: M5N
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O
InChI: InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKey: HEXVASBLYUHGSF-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C1=NC(=O)N=C2C1CCCC2
CACTVS 3.385CC(C)C1=NC(=O)N=C2CCCC[C@H]12
CACTVS 3.385CC(C)C1=NC(=O)N=C2CCCC[CH]12
Name:4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
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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