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DA7

Summary
Name:5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:C18 H19 F N4 O
Formal charge:0
Formula weight:326.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
OpenEye OEToolkits1.5.09-amino-N-(2-dimethylaminoethyl)-5-fluoro-acridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F
SMILES_CANONICALCACTVS3.341CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12
SMILESCACTVS3.341CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F
SMILESOpenEye OEToolkits1.5.0CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F
InChIInChI1.03InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyInChI1.03QEHXKZSBSOBCGM-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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