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

V5G

Summary
Name:7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
Formula:C23 H22 N4 O
Formal charge:0
Formula weight:370.447 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
OpenEye OEToolkits2.0.77-[[3-[2-(6-azanylpyridin-2-yl)ethyl]phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChIInChI1.03InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
InChIKeyInChI1.03WNELLCJMJQCVPO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cccc(CCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILESCACTVS3.385Nc1cccc(CCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon