(E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C24H18N3O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C24H18N3O2Br
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1ccc(-c2cccc(Br)c2)o1
InChI	InChI=1S/C24H18BrN3O2/c25-19-5-3-4-16(12-19)23-9-8-20(30-23)13-18(14-26)24(29)27-11-10-17-15-28-22-7-2-1-6-21(17)22/h1-9,12-13,15,28H,10-11H2,(H,27,29)
InChIK	AWDDWEOSGNESNX-UHFFFAOYSA-N
TotalMolweight	460.33
Molweight	460.33
MonoisotopicMass	459.058238
CLogP	4.8313
CLogS	-6.517
H Acceptors	5
H Donors	2
TotalSurfaceArea	328.42
Relative PSA	0.20145
PolarSurfaceArea	81.82
Druglikeness	-1.8186
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

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