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C25H21N3O5S2 | Cheminformatics
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3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Molecular Formula : C25H21N3O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid is not a drug-like molecule.

MolName : 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

MolecularFormula : C25H21N3O5S2

Smiles : OC(c1cccc(N(C(/C(/S2)=C/c3cn(CC(N4CCOCC4)=O)c4c3cccc4)=O)C2=S)c1)=O

InChI : InChI=1S/C25H21N3O5S2/c29-22(26-8-10-33-11-9-26)15-27-14-17(19-6-1-2-7-20(19)27)13-21-23(30)28(25(34)35-21)18-5-3-4-16(12-18)24(31)32/h1-7,12-14H,8-11,15H2,(H,31,32)

InChIK : KQWZFVWUJFYJQY-UHFFFAOYSA-N

TotalMolweight : 507.59

Molweight : 507.59

MonoisotopicMass : 507.092262

CLogP : 1.7185

CLogS : -4.361

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 363.73

Relative PSA : 0.33453

PolarSurfaceArea : 149.47

Druglikeness : 4.1345

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 9

Symmetricatoms : 2

Amides : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
2 - 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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Request More Details | 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid


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