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

YBS

Summary
Name:[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
Formula:C23 H23 N3 O2
Formal charge:0
Formula weight:373.448 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
InChIKeyInChI1.03XKUZMIUSBMCVPP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4
SMILESCACTVS3.385OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon