(E)-4-oxo-4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]but-2-enoic acid

Formula:C20H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]but-2-enoic acid
MolecularFormula	C20H18N4O3S
Smiles	OC(/C=C/C(N(CC1)CCN1c1c(c(-c2ccccc2)cs2)c2ncn1)=O)=O
InChI	InChI=1S/C20H18N4O3S/c25-16(6-7-17(26)27)23-8-10-24(11-9-23)19-18-15(14-4-2-1-3-5-14)12-28-20(18)22-13-21-19/h1-7,12-13H,8-11H2,(H,26,27)
InChIK	UEYMEQOHUZXJQG-UHFFFAOYSA-N
TotalMolweight	394.454
Molweight	394.454
MonoisotopicMass	394.109961
CLogP	2.3578
CLogS	-4.863
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.57
Relative PSA	0.3038
PolarSurfaceArea	114.87
Druglikeness	6.7897
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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