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

Formula:C23H15N2O2BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-14-[(5-bromofuran-2-yl)methylidene]-11-thiophen-2-yl-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)-14-[(5-bromofuran-2-yl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC23H15N2O2BrS2
SmilesO=C(/C(/S1)=C\c(o2)ccc2Br)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C23H15BrN2O2S2/c24-19-10-8-14(28-19)12-18-22(27)26-21(17-6-3-11-29-17)16-9-7-13-4-1-2-5-15(13)20(16)25-23(26)30-18/h1-6,8,10-12,21H,7,9H2/t21-/m1/s1
InChIKZUSSNEIURKECOR-OAQYLSRUSA-N
TotalMolweight495.42
Molweight495.42
MonoisotopicMass493.975829
CLogP5.6853
CLogS-6.395
H Acceptors4
TotalSurfaceArea312.7
Relative PSA0.25603
PolarSurfaceArea99.35
Druglikeness1.0707
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46667
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms4
Amides1
StereoConracemate

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