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BioLiP

PDB CCD ID: 10I
Number of entries in BioLiP: 2
Chemical formula: C15 H24 N4 O
InChI: InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20)
InChIKey: DWPYTUBIBPCLBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCNC(=N)NC(=O)Nc1c(CC)cccc1CC
OpenEye OEToolkits 2.0.7CCCNC(=N)NC(=O)Nc1c(cccc1CC)CC
OpenEye OEToolkits 2.0.7[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC
ACDLabs 12.01O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC
Name:N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea
ChEMBL: CHEMBL5084796
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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