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BioLiP

PDB CCD ID: E2C
Number of entries in BioLiP: 1
Chemical formula: C21 H27 Cl N2 O
InChI: InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3
InChIKey: UVWATVYWPWOHHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl
CACTVS 3.385CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13
Name:5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine
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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