Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8AD

Summary
Name:9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE
Formula:C20 H24 N4 O
Formal charge:0
Formula weight:336.431 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-amino-N-[4-(dimethylamino)butyl]acridine-4-carboxamide
OpenEye OEToolkits1.5.09-amino-N-(4-dimethylaminobutyl)acridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C
SMILES_CANONICALCACTVS3.341CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12
SMILESCACTVS3.341CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N
SMILESOpenEye OEToolkits1.5.0CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N
InChIInChI1.03InChI=1S/C20H24N4O/c1-24(2)13-6-5-12-22-20(25)16-10-7-9-15-18(21)14-8-3-4-11-17(14)23-19(15)16/h3-4,7-11H,5-6,12-13H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyInChI1.03AMFZHKPIXJORQY-UHFFFAOYSA-N

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon