Chemical Components in the PDB

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DN0 : Summary

Code

DN0

One-letter code

X

Molecule name

2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide

Formula

C26 H29 N3 O3

Formal charge

0

Molecular weight

431.527 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4
Canonical SMILES CACTVS 3.385 O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4

IUPAC InChI

InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)

IUPAC InChI key

HUNGUWOZPQBXGX-UHFFFAOYSA-N
DN0

wwPDB Information

Atom count

61 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-15

Last modified at

2019-10-18

Status

Released

Obsoleted

Not Assigned