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(14Z)-14-(anthracen-9-ylmethylidene)-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:C33H22N2OS2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (14Z)-14-(anthracen-9-ylmethylidene)-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(14Z)-14-(anthracen-9-ylmethylidene)-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
MolecularFormulaC33H22N2OS2
SmilesO=C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C33H22N2OS2/c36-32-29(19-27-23-11-4-2-9-21(23)18-22-10-3-5-12-24(22)27)38-33-34-30-25-13-6-1-8-20(25)15-16-26(30)31(35(32)33)28-14-7-17-37-28/h1-14,17-19,31H,15-16H2/t31-/m0/s1
InChIKNONKTBHTOJXYGB-HKBQPEDESA-N
TotalMolweight526.683
Molweight526.683
MonoisotopicMass526.117353
CLogP8.0628
CLogS-9.328
H Acceptors3
TotalSurfaceArea373.58
Relative PSA0.17654
PolarSurfaceArea86.21
Druglikeness3.5817
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.39474
Fragments1
Non HAtoms38
NonCHAtoms5
Electronegative Atoms5
StereoCenters1
Rotatable Bond2
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms4
Symmetricatoms6
Amides1
StereoConracemate

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