Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

D4L

Summary
Name:2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Formula:C25 H29 N7 O
Formal charge:0
Formula weight:443.544 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H29N7O/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3
InChIKeyInChI1.03RAFDNSUMEOQXMZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2nc(C)c(nc2c1)c3cc4nc(cc(NC5CCOCC5)n4n3)N6CCCC6
SMILESCACTVS3.385Cc1ccc2nc(C)c(nc2c1)c3cc4nc(cc(NC5CCOCC5)n4n3)N6CCCC6
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon