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

Formula:C27H17N4O3Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide is not a drug-like molecule.

MolName	4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
MolecularFormula	C27H17N4O3Cl3S
Smiles	Cc(ccc(N(C(C(Nc(cc1)ccc1C(Nc1nc(-c(cc2)ccc2Cl)cs1)=O)=C1Cl)=O)C1=O)c1)c1Cl
InChI	InChI=1S/C27H17Cl3N4O3S/c1-14-2-11-19(12-20(14)29)34-25(36)22(30)23(26(34)37)31-18-9-5-16(6-10-18)24(35)33-27-32-21(13-38-27)15-3-7-17(28)8-4-15/h2-13,31H,1H3,(H,32,33,35)
InChIK	DMFHBZDNXNBOEL-UHFFFAOYSA-N
TotalMolweight	583.882
Molweight	583.882
MonoisotopicMass	582.008692
CLogP	6.4036
CLogS	-9.034
H Acceptors	7
H Donors	2
TotalSurfaceArea	401.65
Relative PSA	0.2413
PolarSurfaceArea	119.64
Druglikeness	3.3478
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! thiazol-2-ylamine; 2-halo-enone; 3-halo-enone
Shape Index	0.60526
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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