Chemical Components in the PDB

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DZ7 : Summary

Code

DZ7

One-letter code

X

Molecule name

(2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one

Formula

C24 H27 N O3

Formal charge

0

Molecular weight

377.476 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc2CC(=CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC
SMILES OpenEye OEToolkits 2.0.6 COc1cc2c(cc1OC)C(=O)C(=CC3CCN(CC3)Cc4ccccc4)C2
Canonical SMILES CACTVS 3.385 COc1cc2CC(=C/C3CCN(CC3)Cc4ccccc4)\C(=O)c2cc1OC
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2

IUPAC InChI

InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+

IUPAC InChI key

LPMOTUSFDTTWJL-UDWIEESQSA-N
DZ7

wwPDB Information

Atom count

55 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-28

Last modified at

2018-04-27

Status

Released

Obsoleted

Not Assigned