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11-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C37H38N3O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.
MolName11-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormulaC37H38N3O4ClS2
SmilesOC(CCCCCCCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2Cl)=O)C1=S)=O
InChIInChI=1S/C37H38ClN3O4S2/c38-30-19-15-27(16-20-30)26-45-32-21-17-28(18-22-32)35-29(25-41(39-35)31-12-8-7-9-13-31)24-33-36(44)40(37(46)47-33)23-11-6-4-2-1-3-5-10-14-34(42)43/h7-9,12-13,15-22,24-25H,1-6,10-11,14,23,26H2,(H,42,43)
InChIKSCGCUOCPDORPCC-UHFFFAOYSA-N
TotalMolweight688.311
Molweight688.311
MonoisotopicMass687.199224
CLogP7.4898
CLogS-8.933
H Acceptors7
H Donors1
TotalSurfaceArea530.84
Relative PSA0.21863
PolarSurfaceArea142.05
Druglikeness-4.9357
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61702
Fragments1
Non HAtoms47
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond17
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms15
Symmetricatoms6
Amides1
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

Request More Details | 11-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid


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