N-[[5-[(Z)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]methyl]-N'-(3,5-dichlorophenyl)oxamide

Formula:C23H17N5O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[[5-[(Z)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]methyl]-N'-(3,5-dichlorophenyl)oxamide is a drug-like molecule.

MolName	N-[[5-[(Z)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]methyl]-N'-(3,5-dichlorophenyl)oxamide
MolecularFormula	C23H17N5O4Cl2
Smiles	N#C/C(/C(NCc1cnccc1)=O)=C/c1ccc(CNC(C(Nc2cc(Cl)cc(Cl)c2)=O)=O)o1
InChI	InChI=1S/C23H17Cl2N5O4/c24-16-7-17(25)9-18(8-16)30-23(33)22(32)29-13-20-4-3-19(34-20)6-15(10-26)21(31)28-12-14-2-1-5-27-11-14/h1-9,11H,12-13H2,(H,28,31)(H,29,32)(H,30,33)
InChIK	RAYGEICROPGSGZ-UHFFFAOYSA-N
TotalMolweight	498.325
Molweight	498.325
MonoisotopicMass	497.065759
CLogP	1.9507
CLogS	-5.101
H Acceptors	9
H Donors	3
TotalSurfaceArea	373.64
Relative PSA	0.30013
PolarSurfaceArea	137.12
Druglikeness	-1.3744
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! oxal-diamide
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
Amides	3
Aromatic Nitrogens	1
StereoCon

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