S90

N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine

Created:	2015-03-22
Last modified:	2015-06-24

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1 entries where S90 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of S90

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Chemical Component Summary
Name	N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-fluoranyl-phenyl]-N'-cyclopropyl-N-methyl-ethane-1,2-diamine
Formula	C₂₀ H₂₇ F N₄
Molecular Weight	342.454
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCCN(C1CC1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3
Canonical SMILES	CACTVS	3.385	CNCCN(C1CC1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3
InChI	InChI	1.03	InChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24)
InChIKey	InChI	1.03	CZBLKBKVAIKTJH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91808028

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