(E)-2-cyano-N-cyclopentyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

Formula:C23H18N4O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-cyano-N-cyclopentyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-cyclopentyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
MolecularFormula	C23H18N4O3Cl2
Smiles	N#C/C(/C(NC1CCCC1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H18Cl2N4O3/c24-15-8-9-19(18(25)12-15)32-22-17(23(31)29-10-4-3-7-20(29)28-22)11-14(13-26)21(30)27-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6H2,(H,27,30)
InChIK	ZTTSRUATRMLIFQ-UHFFFAOYSA-N
TotalMolweight	469.327
Molweight	469.327
MonoisotopicMass	468.075595
CLogP	3.5647
CLogS	-6.818
H Acceptors	7
H Donors	1
TotalSurfaceArea	343.71
Relative PSA	0.22158
PolarSurfaceArea	94.79
Druglikeness	-2.0653
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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1 - (E)-2-cyano-N-cyclopentyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclopentyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

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