(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Formula:C20H17N5O3F4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C20H17N5O3F4
Smiles	O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COn2nnc3cccnc23)OCC1
InChI	InChI=1S/C20H17F4N5O3/c21-14-5-3-13(16(10-14)20(22,23)24)4-6-18(30)28-8-9-31-15(11-28)12-32-29-19-17(26-27-29)2-1-7-25-19/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIK	GVPPMEZHONXRQT-OAHLLOKOSA-N
TotalMolweight	451.379
Molweight	451.379
MonoisotopicMass	451.126752
CLogP	3.0372
CLogS	-5.186
H Acceptors	8
TotalSurfaceArea	317.5
Relative PSA	0.24054
PolarSurfaceArea	82.37
Druglikeness	-7.9816
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon	racemate

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1 - (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

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