Chemical Components in the PDB

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FXH : Summary

Code

FXH

One-letter code

X

Molecule name

1-[(dimethylamino)methyl]naphthalen-2-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[(dimethylamino)methyl]naphthalen-2-ol

Formula

C13 H15 N O

Formal charge

0

Molecular weight

201.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C)Cc1c(O)ccc2ccccc12
SMILES OpenEye OEToolkits 2.0.6 CN(C)Cc1c2ccccc2ccc1O
Canonical SMILES CACTVS 3.385 CN(C)Cc1c(O)ccc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 CN(C)Cc1c2ccccc2ccc1O

IUPAC InChI

InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3

IUPAC InChI key

GOHHBFSPKLRUNF-UHFFFAOYSA-N
FXH

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-13

Last modified at

2020-01-03

Status

Released

Obsoleted

Not Assigned