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BioLiP

PDB CCD ID: V1I
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N2 O
InChI: InChI=1S/C10H16N2O/c1-2-7-12(9-5-6-9)10(13)11-8-3-4-8/h2,8-9H,1,3-7H2,(H,11,13)
InChIKey: YEPCUYUBKYDNRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C=CCN(C1CC1)C(=O)NC2CC2
ACDLabs 12.01O=C(NC1CC1)N(CC=C)C1CC1
Name:N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea
ZINC: ZINC000095458689
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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