2-[3-[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione

Formula:C32H26N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[3-[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione is not a drug-like molecule.

MolName	2-[3-[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione
MolecularFormula	C32H26N4O2S
Smiles	O=C(c1c2c3cccc2ccc1)N(CCCc(n1-c2ccccc2)nnc1SC/C=C/c1ccccc1)C3=O
InChI	InChI=1S/C32H26N4O2S/c37-30-26-18-7-14-24-15-8-19-27(29(24)26)31(38)35(30)21-9-20-28-33-34-32(36(28)25-16-5-2-6-17-25)39-22-10-13-23-11-3-1-4-12-23/h1-8,10-19H,9,20-22H2
InChIK	JPQRDQCUVSWAOC-UHFFFAOYSA-N
TotalMolweight	530.65
Molweight	530.65
MonoisotopicMass	530.177646
CLogP	6.6017
CLogS	-8.848
H Acceptors	6
TotalSurfaceArea	405.19
Relative PSA	0.18739
PolarSurfaceArea	93.39
Druglikeness	3.7251
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	10
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[3-[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione | 2 - 2-[3-[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione

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