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BioLiP

PDB CCD ID: W2U
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O2
InChI: InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKey: GSFLSJRVNIXWKZ-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(=O)NN)Oc1ccccc1
ACDLabs 12.01CC(Oc1ccccc1)C(=O)NN
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)NN)Oc1ccccc1
CACTVS 3.385C[CH](Oc1ccccc1)C(=O)NN
CACTVS 3.385C[C@H](Oc1ccccc1)C(=O)NN
Name:(2S)-2-phenoxypropanehydrazide
ZINC: ZINC000000117564
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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