Chemical Components in the PDB

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K17 : Summary

Code

K17

One-letter code

X

Molecule name

4,5,6,7-TETRABROMO-BENZIMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 4,5,6,7-tetrabromo-1H-benzimidazole
OpenEye OEToolkits 1.5.0 4,5,6,7-tetrabromo-1H-benzimidazole

Formula

C7 H2 Br4 N2

Formal charge

0

Molecular weight

433.72 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Brc2c1c(ncn1)c(Br)c(Br)c2Br
SMILES CACTVS 3.341 Brc1c(Br)c(Br)c2nc[nH]c2c1Br
SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br
Canonical SMILES CACTVS 3.341 Brc1c(Br)c(Br)c2nc[nH]c2c1Br
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br

IUPAC InChI

InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)

IUPAC InChI key

LOEIRDBRYBHAJB-UHFFFAOYSA-N
K17

wwPDB Information

Atom count

15 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned