2-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C26H24N4O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is not a drug-like molecule.

MolName	2-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C26H24N4O5S3
Smiles	OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)C1=S)=O
InChI	InChI=1S/C26H24N4O5S3/c31-23(32)17-29-25(33)22(37-26(29)36)15-19-16-30(20-9-3-1-4-10-20)27-24(19)18-8-7-11-21(14-18)38(34,35)28-12-5-2-6-13-28/h1,3-4,7-11,14-16H,2,5-6,12-13,17H2,(H,31,32)
InChIK	FABMXTJIPZWTIV-UHFFFAOYSA-N
TotalMolweight	568.698
Molweight	568.698
MonoisotopicMass	568.090881
CLogP	1.6529
CLogS	-4.521
H Acceptors	9
H Donors	1
TotalSurfaceArea	402.24
Relative PSA	0.34355
PolarSurfaceArea	178.58
Druglikeness	-4.1428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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