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PRL

Summary
Name:PROFLAVIN
Formula:C13 H11 N3
Formal charge:0
Formula weight:209.247 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04acridine-3,6-diamine
OpenEye OEToolkits1.5.0acridine-3,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c3c(cc2c1cc(N)cc2)ccc(c3)N
SMILES_CANONICALCACTVS3.341Nc1ccc2cc3ccc(N)cc3nc2c1
SMILESCACTVS3.341Nc1ccc2cc3ccc(N)cc3nc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)N)N
SMILESOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)N)N
InChIInChI1.03InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKeyInChI1.03WDVSHHCDHLJJJR-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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