Chemical Components in the PDB

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CG : Summary

Code

CG

One-letter code

X

Molecule name

4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide
OpenEye OEToolkits 1.5.0 1-(carbamimidoylhydrazinylidene)-2,3-dihydroindene-4-carboximidamide

Formula

C11 H14 N6

Formal charge

0

Molecular weight

230.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N@H]=C(c1cccc\2c1CCC/2=N/NC(=[N@H])N)N
SMILES CACTVS 3.341 NC(=N)NN=C1CCc2c(cccc12)C(N)=N
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N
Canonical SMILES CACTVS 3.341 NC(=N)N/N=C/1CCc2c(cccc/12)C(N)=N
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N

IUPAC InChI

InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+

IUPAC InChI key

CYPGNVSXMAUSJY-CXUHLZMHSA-N
CG

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-03-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned