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4-[4-[(5E)-5-[3-[4-(4-carboxyanilino)-4-oxobutyl]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-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]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-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]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-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)=S)\SC2=O)=S)C1=O)=O)=O
InChIInChI=1S/C28H24N4O8S4/c33-19(29-17-9-5-15(6-10-17)25(35)36)3-1-13-31-23(41)21(43-27(31)39)22-24(42)32(28(40)44-22)14-2-4-20(34)30-18-11-7-16(8-12-18)26(37)38/h5-12H,1-4,13-14H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)
InChIKVFCQSCKPNNORLA-UHFFFAOYSA-N
TotalMolweight672.783
Molweight672.783
MonoisotopicMass672.047696
CLogP2.4294
CLogS-7.35
H Acceptors12
H Donors4
TotalSurfaceArea474.62
Relative PSA0.47499
PolarSurfaceArea288.2
Druglikeness3.5743
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
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]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid


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