KND

6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine

Created:	2019-01-03
Last modified:	2019-03-13

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2 entries where KND is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	12

2D diagram of KND

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Chemical Component Summary
Name	6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[2,3-bis(fluoranyl)-5-[2-[(3~{S})-4-methylmorpholin-3-yl]ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₁ H₂₇ F₂ N₃ O
Molecular Weight	375.455
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)C)F
SMILES	CACTVS	3.385	CN1CCOC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3COCCN3C
Canonical SMILES	CACTVS	3.385	CN1CCOC[C@@H]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C
InChI	InChI	1.03	InChI=1S/C21H27F2N3O/c1-14-9-17(25-20(24)10-14)5-4-16-11-15(12-19(22)21(16)23)3-6-18-13-27-8-7-26(18)2/h9-12,18H,3-8,13H2,1-2H3,(H2,24,25)/t18-/m0/s1
InChIKey	InChI	1.03	WLROZYRNCCIRPN-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	137530122

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