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(14E)-11-(3-nitrophenyl)-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C32H20N3O4F3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-(3-nitrophenyl)-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-11-(3-nitrophenyl)-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC32H20N3O4F3S
Smiles[O-][N+](c1cccc(C2N(C(/C(/S3)=C\c4ccc(-c5cc(C(F)(F)F)ccc5)o4)=O)C3=NC3=C2CCc2c3cccc2)c1)=O
InChIInChI=1S/C32H20F3N3O4S/c33-32(34,35)21-8-3-6-19(15-21)26-14-12-23(42-26)17-27-30(39)37-29(20-7-4-9-22(16-20)38(40)41)25-13-11-18-5-1-2-10-24(18)28(25)36-31(37)43-27/h1-10,12,14-17,29H,11,13H2/t29-/m0/s1
InChIKRTWLAKSOYPEURA-LJAQVGFWSA-N
TotalMolweight599.588
Molweight599.588
MonoisotopicMass599.112661
CLogP6.673
CLogS-8.804
H Acceptors7
TotalSurfaceArea411.02
Relative PSA0.21926
PolarSurfaceArea116.93
Druglikeness-8.2642
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.4186
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms2
Amides1
AcidicOxygens1
StereoConracemate

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