K11

N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

Created:	2008-10-17
Last modified:	2011-06-04

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1 entries where K11 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	34

2D diagram of K11

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Chemical Component Summary
Name	N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
Systematic Name (OpenEye OEToolkits)	N-[4-[3-(2-methylaminopyrimidin-4-yl)pyridin-2-yl]oxynaphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
Formula	C₂₈ H₂₀ F₃ N₇ O
Molecular Weight	527.5
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c6cc1c(nc(n1)Nc5c2ccccc2c(Oc4ncccc4c3nc(ncc3)NC)cc5)cc6
SMILES	CACTVS	3.341	CNc1nccc(n1)c2cccnc2Oc3ccc(Nc4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36
SMILES	OpenEye OEToolkits	1.5.0	CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F
Canonical SMILES	CACTVS	3.341	CNc1nccc(n1)c2cccnc2Oc3ccc(Nc4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
InChIKey	InChI	1.03	VIHXUAKPZPXVSW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL463323
PubChem	16731782
ChEMBL	CHEMBL463323

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