Chemical Components in the PDB

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DW5 : Summary

Code

DW5

One-letter code

X

Molecule name

five-coordinate platinum(II) compound

Systematic names

Not Assigned

Formula

C17 H15 N2 Pt

Formal charge

0

Molecular weight

442.392 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
SMILES OpenEye OEToolkits 2.0.6 CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C
Canonical SMILES CACTVS 3.385 CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C

IUPAC InChI

InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-2;;/h3-8H,1-2H3;1-2H2;1H3;

IUPAC InChI key

YTGODKYHPOIPHE-UHFFFAOYSA-N
DW5

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-02

Last modified at

2018-04-20

Status

Released

Obsoleted

Not Assigned