Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

FYC : Summary

Code

FYC

One-letter code

X

Molecule name

3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (E)-3-(2-fluorophenyl)-2-methyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]prop-2-enamide

Formula

C18 H16 F N3 O2

Formal charge

0

Molecular weight

325.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=Cc1ccccc1F)C(=O)NCc2ccc3NC(=O)Nc3c2
SMILES OpenEye OEToolkits 1.7.6 CC(=Cc1ccccc1F)C(=O)NCc2ccc3c(c2)NC(=O)N3
Canonical SMILES CACTVS 3.385 CC(=C\c1ccccc1F)/C(=O)NCc2ccc3NC(=O)Nc3c2
Canonical SMILES OpenEye OEToolkits 1.7.6 C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3

IUPAC InChI

InChI=1S/C18H16FN3O2/c1-11(8-13-4-2-3-5-14(13)19)17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,24)/b11-8+

IUPAC InChI key

MNPHMLQQNDWSRS-DHZHZOJOSA-N
FYC

wwPDB Information

Atom count

40 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-08-25

Last modified at

2015-09-04

Status

Released

Obsoleted

Not Assigned