Chemical Components in the PDB

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AFF : Summary

Code

AFF

One-letter code

N

Molecule name

2-ACETYLAMINOFLUORENE-3-YL

Systematic names

ProgramVersionName
ACDLabs 10.04 N-9H-fluoren-2-ylacetamide
OpenEye OEToolkits 1.5.0 N-(9H-fluoren-2-yl)ethanamide

Formula

C15 H13 N O

Formal charge

0

Molecular weight

223.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc3ccc2c1ccccc1Cc2c3)C
SMILES CACTVS 3.341 CC(=O)Nc1ccc2c(Cc3ccccc23)c1
SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3
Canonical SMILES CACTVS 3.341 CC(=O)Nc1ccc2c(Cc3ccccc23)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3

IUPAC InChI

InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)

IUPAC InChI key

CZIHNRWJTSTCEX-UHFFFAOYSA-N
AFF

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

DNA LINKING

Type code

HETAIN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2006-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned