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C28H24N4O8S4 | Cheminformatics
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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

Molecular 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.

MolName : 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

MolecularFormula : C28H24N4O8S4

Smiles : OC(c(cc1)ccc1NC(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc(cc3)ccc3C(O)=O)=O)=O)\SC2=S)=O)C1=S)=O)=O

InChI : InChI=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)

InChIK : ZGBBQZRXTIMBOT-UHFFFAOYSA-N

TotalMolweight : 672.783

Molweight : 672.783

MonoisotopicMass : 672.047696

CLogP : 1.3002

CLogS : -6.178

H Acceptors : 12

H Donors : 4

TotalSurfaceArea : 474.62

Relative PSA : 0.47499

PolarSurfaceArea : 288.2

Druglikeness : 3.7031

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 44

NonCHAtoms : 16

Electronegative Atoms : 16

Rotatable Bond : 12

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 12

Symmetricatoms : 24

Amides : 4

AcidicOxygens : 2

StereoCon :

Click to Load Molecule:
1 - 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
2 - 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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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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