4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Formula:C22H17N4O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is a drug-like molecule.

MolName	4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
MolecularFormula	C22H17N4O3ClS
Smiles	Cc1csc(NC(c(cc2)ccc2NC(C(N(C2=O)c3cc(C)ccc3)=O)=C2Cl)=O)n1
InChI	InChI=1S/C22H17ClN4O3S/c1-12-4-3-5-16(10-12)27-20(29)17(23)18(21(27)30)25-15-8-6-14(7-9-15)19(28)26-22-24-13(2)11-31-22/h3-11,25H,1-2H3,(H,24,26,28)
InChIK	CRANZGKSOXEMBI-UHFFFAOYSA-N
TotalMolweight	452.921
Molweight	452.921
MonoisotopicMass	452.070988
CLogP	3.8393
CLogS	-6.152
H Acceptors	7
H Donors	2
TotalSurfaceArea	323.31
Relative PSA	0.29977
PolarSurfaceArea	119.64
Druglikeness	3.1439
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; 2-halo-enone; 3-halo-enone
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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