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

A1CLN

Summary
Name:(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
Formula:C26 H27 N3 O2
Formal charge:0
Formula weight:413.511 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
OpenEye OEToolkits3.1.0.08-methyl-7-(2-methylpyridin-4-yl)-1'-(pyridin-2-ylmethyl)spiro[3~{H}-chromene-2,4'-piperidine]-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1nccc(c1)c1ccc2c(OC3(CCN(CC3)Cc3ccccn3)CC2=O)c1C
InChIInChI1.06InChI=1S/C26H27N3O2/c1-18-15-20(8-12-27-18)22-6-7-23-24(30)16-26(31-25(23)19(22)2)9-13-29(14-10-26)17-21-5-3-4-11-28-21/h3-8,11-12,15H,9-10,13-14,16-17H2,1-2H3
InChIKeyInChI1.06FLGATGWICYMNLV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(ccn1)c2ccc3C(=O)CC4(CCN(CC4)Cc5ccccn5)Oc3c2C
SMILESCACTVS3.385Cc1cc(ccn1)c2ccc3C(=O)CC4(CCN(CC4)Cc5ccccn5)Oc3c2C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5ccccn5)CC3=O
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5ccccn5)CC3=O

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon