(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile

Formula:C21H10N5O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N5O3Br
Smiles	N#C/C(/c([nH]c1c2)nc1ncc2Br)=C\c1ccc(-c(cc2)cc(C(N3)=O)c2C3=O)o1
InChI	InChI=1S/C21H10BrN5O3/c22-12-7-16-19(24-9-12)26-18(25-16)11(8-23)5-13-2-4-17(30-13)10-1-3-14-15(6-10)21(29)27-20(14)28/h1-7,9H,(H,24,25,26)(H,27,28,29)
InChIK	INDGEAIYMFFNLA-UHFFFAOYSA-N
TotalMolweight	460.246
Molweight	460.246
MonoisotopicMass	458.996701
CLogP	2.8489
CLogS	-5.839
H Acceptors	8
H Donors	2
TotalSurfaceArea	302.67
Relative PSA	0.33416
PolarSurfaceArea	124.67
Druglikeness	-2.8109
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Amides	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile | 2 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enenitrile

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