Chemical Components in the PDB

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DJU : Summary

Code

DJU

One-letter code

X

Molecule name

N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine

Synonyms

5-Benzyloxygramine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine

Formula

C18 H20 N2 O

Formal charge

0

Molecular weight

280.364 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
SMILES OpenEye OEToolkits 2.0.7 CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
Canonical SMILES CACTVS 3.385 CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3

IUPAC InChI

InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3

IUPAC InChI key

POTVAILTNPOQJH-UHFFFAOYSA-N
DJU

wwPDB Information

Atom count

41 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-02

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned