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BioLiP

PDB CCD ID: W1Y
Number of entries in BioLiP: 3
Chemical formula: C11 H13 N3
InChI: InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
InChIKey: SZXULAAYIBSASF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNCc1cnn(c1)c2ccccc2
ACDLabs 12.01n1n(cc(CNC)c1)c2ccccc2
Name:N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine
ChEMBL: CHEMBL4539197
ZINC: ZINC000004218603
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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