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4-[4-[(5E)-5-[3-[4-(4-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

Formula:C28H24N4O8S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-[(5E)-5-[3-[4-(4-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid is not a drug-like molecule.
MolName4-[4-[(5E)-5-[3-[4-(4-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
MolecularFormulaC28H24N4O8S4
SmilesOC(c(cc1)ccc1NC(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc(cc3)ccc3C(O)=O)=O)=O)\SC2=S)=O)C1=S)=O)=O
InChIInChI=1S/C28H24N4O8S4/c33-19(29-17-9-5-15(6-10-17)25(37)38)3-1-13-31-23(35)21(43-27(31)41)22-24(36)32(28(42)44-22)14-2-4-20(34)30-18-11-7-16(8-12-18)26(39)40/h5-12H,1-4,13-14H2,(H,29,33)(H,30,34)(H,37,38)(H,39,40)
InChIKZGBBQZRXTIMBOT-UHFFFAOYSA-N
TotalMolweight672.783
Molweight672.783
MonoisotopicMass672.047696
CLogP1.3002
CLogS-6.178
H Acceptors12
H Donors4
TotalSurfaceArea474.62
Relative PSA0.47499
PolarSurfaceArea288.2
Druglikeness3.7031
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63636
Fragments1
Non HAtoms44
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms24
Amides4
AcidicOxygens2
StereoCon

Request More Details | 4-[4-[(5E)-5-[3-[4-(4-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid


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