Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

LLB

Summary
Name:[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
Formula:C29 H29 N O4 S
Formal charge:0
Formula weight:487.61 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
OpenEye OEToolkits1.5.0[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCC(C)CC4)cc5
SMILES_CANONICALCACTVS3.341CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc34)c5ccc(O)cc5)CC1
SMILESCACTVS3.341CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc34)c5ccc(O)cc5)CC1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O
SMILESOpenEye OEToolkits1.5.0CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O
InChIInChI1.03InChI=1S/C29H29NO4S/c1-19-12-14-30(15-13-19)16-17-34-24-9-4-20(5-10-24)28(33)27-25-11-8-23(32)18-26(25)35-29(27)21-2-6-22(31)7-3-21/h2-11,18-19,31-32H,12-17H2,1H3
InChIKeyInChI1.03RLOZWABDAGQFIY-UHFFFAOYSA-N

248335

PDB entries from 2026-01-28

PDB statisticsPDBj update infoContact PDBjnumon