Chemical Components in the PDB

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D5H : Summary

Code

D5H

One-letter code

X

Molecule name

2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Synonyms

Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Formula

C20 H18 F N O4

Formal charge

0

Molecular weight

355.36 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2
SMILES OpenEye OEToolkits 2.0.6 COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O

IUPAC InChI

InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)

IUPAC InChI key

XPRDUGXOWVXZLL-UHFFFAOYSA-N
D5H

wwPDB Information

Atom count

44 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-01

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned