2-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

Formula:C25H21N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
MolecularFormula	C25H21N4O2Br
Smiles	O=C(/C(/NC(c(cccc1)c1Br)=O)=C\c1cnccc1)NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C25H21BrN4O2/c26-21-9-3-1-8-20(21)24(31)30-23(14-17-6-5-12-27-15-17)25(32)28-13-11-18-16-29-22-10-4-2-7-19(18)22/h1-10,12,14-16,29H,11,13H2,(H,28,32)(H,30,31)
InChIK	JSGPSGMKHCIMMQ-UHFFFAOYSA-N
TotalMolweight	489.372
Molweight	489.372
MonoisotopicMass	488.084787
CLogP	4.327
CLogS	-5.365
H Acceptors	6
H Donors	3
TotalSurfaceArea	344.99
Relative PSA	0.21438
PolarSurfaceArea	86.88
Druglikeness	2.0958
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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