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

7GK

Summary
Name:2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
Formula:C18 H17 N5
Formal charge:0
Formula weight:303.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
OpenEye OEToolkits2.0.62-(4-piperazin-1-ylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-4-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1N(CCNC1)c2ccc(cc2)c4cc3c(nccc3C#N)n4
InChIInChI1.03InChI=1S/C18H17N5/c19-12-14-5-6-21-18-16(14)11-17(22-18)13-1-3-15(4-2-13)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2,(H,21,22)
InChIKeyInChI1.03NVTWXXPKCOGVMK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N#Cc1ccnc2[nH]c(cc12)c3ccc(cc3)N4CCNCC4
SMILESCACTVS3.385N#Cc1ccnc2[nH]c(cc12)c3ccc(cc3)N4CCNCC4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon