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

YSP

Summary
Name:5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
Formula:C28 H21 Cl N4 O4
Formal charge:0
Formula weight:512.944 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.75-[5-[3-chloranyl-5-[(2-methylphenyl)methoxy]phenyl]-6-oxidanylidene-1-pyridin-3-yl-pyridin-3-yl]-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccccc1COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChIInChI1.03InChI=1S/C28H21ClN4O4/c1-17-5-2-3-6-18(17)16-37-23-10-19(9-21(29)12-23)24-11-20(25-14-31-28(36)32-26(25)34)15-33(27(24)35)22-7-4-8-30-13-22/h2-15H,16H2,1H3,(H2,31,32,34,36)
InChIKeyInChI1.03CXKRCAINPQDWER-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O
SMILESCACTVS3.385Cc1ccccc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon