(E)-4-[4-[2-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]pyrimidin-5-yl]anilino]-4-oxobut-2-enoic acid

Formula:C24H18N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[2-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]pyrimidin-5-yl]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-[2-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]pyrimidin-5-yl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C24H18N4O6
Smiles	OC(/C=C/C(Nc(cc1)ccc1-c1cnc(-c(cc2)ccc2NC(/C=C/C(O)=O)=O)nc1)=O)=O
InChI	InChI=1S/C24H18N4O6/c29-20(9-11-22(31)32)27-18-5-1-15(2-6-18)17-13-25-24(26-14-17)16-3-7-19(8-4-16)28-21(30)10-12-23(33)34/h1-14H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIK	ZUVSEAHXQPFQJX-UHFFFAOYSA-N
TotalMolweight	458.429
Molweight	458.429
MonoisotopicMass	458.122636
CLogP	1.5666
CLogS	-5.101
H Acceptors	10
H Donors	4
TotalSurfaceArea	349.92
Relative PSA	0.35214
PolarSurfaceArea	158.58
Druglikeness	1.1378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[4-[2-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]pyrimidin-5-yl]anilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[4-[2-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]pyrimidin-5-yl]anilino]-4-oxobut-2-enoic acid

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