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BioLiP

PDB CCD ID: RGO
Number of entries in BioLiP: 1
Chemical formula: C11 H9 F2 N O
InChI: InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1
InChIKey: FBNLACZWDFCRLD-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F
CACTVS 3.385FC1(F)C[CH]2Cc3ccccc3N2C1=O
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)CC3N2C(=O)C(C3)(F)F
CACTVS 3.385FC1(F)C[C@@H]2Cc3ccccc3N2C1=O
Name:(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
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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