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N-[(1S)-2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

Formula:C31H24N5O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(1S)-2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is not a drug-like molecule.
MolNameN-[(1S)-2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
MolecularFormulaC31H24N5O4Cl
SmilesO=C([C@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Cl
InChIInChI=1S/C31H24ClN5O4/c32-23-16-14-20(15-17-23)19-41-26-13-7-4-10-22(26)18-33-36-31(40)28(34-29(38)21-8-2-1-3-9-21)27-24-11-5-6-12-25(24)30(39)37-35-27/h1-18,28H,19H2,(H,34,38)(H,36,40)(H,37,39)/t28-/m0/s1
InChIKDHMVGZYFRCHPLD-NDEPHWFRSA-N
TotalMolweight566.016
Molweight566.016
MonoisotopicMass565.151682
CLogP5.0872
CLogS-7.954
H Acceptors9
H Donors3
TotalSurfaceArea426.08
Relative PSA0.25
PolarSurfaceArea121.25
Druglikeness6.6787
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.4878
Fragments1
Non HAtoms41
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms4
Amides1
StereoConthis enantiomer

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