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BioLiP

PDB CCD ID: M0J
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
InChIKey: XEAXHIGGZMUNSO-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(CNC(=O)Nc1ccccc1)O
OpenEye OEToolkits 2.0.6C[C@@H](CNC(=O)Nc1ccccc1)O
CACTVS 3.385C[CH](O)CNC(=O)Nc1ccccc1
CACTVS 3.385C[C@H](O)CNC(=O)Nc1ccccc1
ACDLabs 12.01N(C(=O)NCC(O)C)c1ccccc1
Name:N-[(2S)-2-hydroxypropyl]-N'-phenylurea
ZINC: ZINC000000395358
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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