Chemical Components in the PDB

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EBE : Summary

Code

EBE

One-letter code

X

Molecule name

(2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide

Formula

C19 H16 F N3 O2

Formal charge

0

Molecular weight

337.348 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ncc(cn1)c2ccc(cc2)[CH](C(=O)NO)c3ccccc3F
SMILES OpenEye OEToolkits 2.0.6 Cc1ncc(cn1)c2ccc(cc2)C(c3ccccc3F)C(=O)NO
Canonical SMILES CACTVS 3.385 Cc1ncc(cn1)c2ccc(cc2)[C@H](C(=O)NO)c3ccccc3F
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO

IUPAC InChI

InChI=1S/C19H16FN3O2/c1-12-21-10-15(11-22-12)13-6-8-14(9-7-13)18(19(24)23-25)16-4-2-3-5-17(16)20/h2-11,18,25H,1H3,(H,23,24)/t18-/m0/s1

IUPAC InChI key

SFXMVIQZYOMYOF-SFHVURJKSA-N
EBE

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-13

Last modified at

2018-11-30

Status

Released

Obsoleted

Not Assigned