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Summary Geometry Related PDB entries

FB7

Summary

Name:	5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Synonyms:	MBT147
Formula:	C19 H22 F3 N5 O2
Formal charge:	0
Formula weight:	409.405 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)
InChIKey	InChI	1.03	PYIZPPLCBSHXDH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3)N4CCOCC4)C(F)(F)F
SMILES	CACTVS	3.385	Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3)N4CCOCC4)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N
SMILES	OpenEye OEToolkits	2.0.6	c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N

218500

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