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BioLiP

PDB CCD ID: E2L
Number of entries in BioLiP: 1
Chemical formula: C20 H23 Cl N2 O
InChI: InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1
InChIKey: WQNGMCVEBYRHCN-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCCC4CCCNC4
CACTVS 3.385Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4
CACTVS 3.385Clc1ccc2Oc3ccccc3N(CCC[C@@H]4CCCNC4)c2c1
Name:2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine
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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