ISDA: 6FFK

D7Z

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: D7Z

IUPAC Name: PtCl2(1(R),2(R)-DACH)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCCCC1

InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

InChI Key: XDTMQSROBMDMFD-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H14 Cl2 N2 Pt

Molecular weight: 380.173

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 2

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	dichlorido[(1R,2R)-cyclohexane-1,2-diamine-kappa~2~N,N']platinum
OpenEye OEToolkits	3.1.0.0	(1~{R},6~{R})-8,8-bis(chloranyl)-7$l^{4},9$l^{4}-diaza-8$l^{4}-platinabicyclo[4.3.0]nonane

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cl[Pt]1(Cl)[NH2]C2CCCCC2[NH2]1
InChI	InChI	1.06	InChI=1S/C6H14N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+2/p-2/t5-,6-;;;/m1.../s1
InChIKey	InChI	1.06	PNNCIXRVXCLADM-SKSSAGQDSA-L
SMILES_CANONICAL	CACTVS	3.385	N[C@@H]1CCCC[C@H]1N.Cl[Pt]Cl
SMILES	CACTVS	3.385	N[CH]1CCCC[CH]1N.Cl[Pt]Cl
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C1CC[C@@H]2[C@@H](C1)[NH2][Pt]([NH2]2)(Cl)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	C1CCC2C(C1)[NH2][Pt]([NH2]2)(Cl)Cl

Chemical Database Mapping

Database	Reference ID
PubChem	139024757,44387905
SureChEMBL	27818258