Q6K

~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

Created:	2020-05-25
Last modified:	2024-09-27

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3 entries where Q6K is found as a standalone ligand5 entries where Q6K is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	0
Bond Count	75
Aromatic Bond Count	22

2D diagram of Q6K

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Chemical Component Summary
Name	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Formula	C₂₈ H₃₅ N₇ O₂
Molecular Weight	501.623
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C
InChI	InChI	1.03	InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)
InChIKey	InChI	1.03	UHTBXBRYOKJTAN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71244256

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