6LP

N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine

Created:	2016-05-02
Last modified:	2016-05-18

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1 entries where 6LP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of 6LP

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Chemical Component Summary
Name	N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	~{N}'-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]ethane-1,2-diamine
Formula	C₁₇ H₁₇ Cl N₆
Molecular Weight	340.81
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(nc(ncc1)Nc2cc(ccc2)Cl)c3cc(ncc3)NCCN
SMILES	CACTVS	3.385	NCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2
SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN
Canonical SMILES	CACTVS	3.385	NCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN
InChI	InChI	1.03	InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24)
InChIKey	InChI	1.03	OGZKVNUWPYUXNL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21948240
ChEMBL	CHEMBL584384

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