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2-[[1-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile

Formula:C34H28N4O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[1-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile is not a drug-like molecule.
MolName2-[[1-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
MolecularFormulaC34H28N4O4S
SmilesN#Cc1c(COc2c(/C=C(/C(N3CC(N(CC4)CCN4c4ccccc4)=O)=O)\SC3=O)c3ccccc3cc2)cccc1
InChIInChI=1S/C34H28N4O4S/c35-21-25-9-4-5-10-26(25)23-42-30-15-14-24-8-6-7-13-28(24)29(30)20-31-33(40)38(34(41)43-31)22-32(39)37-18-16-36(17-19-37)27-11-2-1-3-12-27/h1-15,20H,16-19,22-23H2
InChIKPNEYFEGFSDSXIW-UHFFFAOYSA-N
TotalMolweight588.686
Molweight588.686
MonoisotopicMass588.183126
CLogP5.0442
CLogS-7.326
H Acceptors8
TotalSurfaceArea441
Relative PSA0.20594
PolarSurfaceArea119.25
Druglikeness3.4354
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.51163
Fragments1
Non HAtoms43
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms8
Symmetricatoms4
Amides2
Amines1
Aromatic Amines1
StereoCon

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