Chemical Components in the PDB

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G5T : Summary

Code

G5T

One-letter code

X

Molecule name

3-(6-morpholin-4-ylpyridin-2-yl)phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-(6-morpholin-4-ylpyridin-2-yl)phenol

Formula

C15 H16 N2 O2

Formal charge

0

Molecular weight

256.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cccc(c1)c2cccc(n2)N3CCOCC3
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3
Canonical SMILES CACTVS 3.385 Oc1cccc(c1)c2cccc(n2)N3CCOCC3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3

IUPAC InChI

InChI=1S/C15H16N2O2/c18-13-4-1-3-12(11-13)14-5-2-6-15(16-14)17-7-9-19-10-8-17/h1-6,11,18H,7-10H2

IUPAC InChI key

HHRAPFSCLJQTTE-UHFFFAOYSA-N
G5T

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-29

Last modified at

2019-09-06

Status

Released

Obsoleted

Not Assigned