D83

2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide

Created:	2011-05-11
Last modified:	2012-09-07

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1 entries where D83 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	24

2D diagram of D83

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Chemical Component Summary
Name	2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide
Systematic Name (OpenEye OEToolkits)	2-[4-(4-carbamimidoylphenyl)phenyl]-1H-indole-6-carboximidamide
Formula	C₂₂ H₁₉ N₅
Molecular Weight	353.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[N@H]=C(N)c1ccc(cc1)c4ccc(c3cc2ccc(cc2n3)C(=[N@H])N)cc4
SMILES	CACTVS	3.370	NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N
SMILES	OpenEye OEToolkits	1.7.2	c1cc(ccc1c2ccc(cc2)C(=N)N)c3cc4ccc(cc4[nH]3)C(=N)N
Canonical SMILES	CACTVS	3.370	NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.7.2	[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N
InChI	InChI	1.03	InChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKey	InChI	1.03	UCQUHTKKHKLNML-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46830238
ChEMBL	CHEMBL1765480

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