Chemical Components in the PDB

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U26 : Summary

Code

U26

One-letter code

X

Molecule name

(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione
OpenEye OEToolkits 2.0.7 1-[(4-fluorophenyl)methyl]-3-isoquinolin-4-yl-imidazolidine-2,4-dione

Formula

C19 H14 F N3 O2

Formal charge

0

Molecular weight

335.332 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1
SMILES CACTVS 3.385 Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F
Canonical SMILES CACTVS 3.385 Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F

IUPAC InChI

InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2

IUPAC InChI key

ZKUHTBIQDMFRSK-UHFFFAOYSA-N
U26

wwPDB Information

Atom count

39 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-02

Last modified at

2023-06-23

Status

Released

Obsoleted

Not Assigned