(Z)-4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid

Formula:C20H14N3O4ClS Mutagenic:low Tumorigenic:high Reproductive Effective:none (Z)-4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
MolecularFormula	C20H14N3O4ClS
Smiles	OC(/C=C\C(Nc1nc(-c(cc2)ccc2NC(c(cc2)ccc2Cl)=O)cs1)=O)=O
InChI	InChI=1S/C20H14ClN3O4S/c21-14-5-1-13(2-6-14)19(28)22-15-7-3-12(4-8-15)16-11-29-20(23-16)24-17(25)9-10-18(26)27/h1-11H,(H,22,28)(H,26,27)(H,23,24,25)
InChIK	MQOLLDGZRKGSDY-UHFFFAOYSA-N
TotalMolweight	427.867
Molweight	427.867
MonoisotopicMass	427.039354
CLogP	3.8726
CLogS	-5.504
H Acceptors	7
H Donors	3
TotalSurfaceArea	311.92
Relative PSA	0.34134
PolarSurfaceArea	136.63
Druglikeness	2.7396
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (Z)-4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid | 2 - (Z)-4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid

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