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(14E)-11-(2,4-dichlorophenyl)-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:C32H19N2O2Cl2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-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
MolecularFormulaC32H19N2O2Cl2F3S
SmilesO=C(/C(/S1)=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(ccc(Cl)c1)c1Cl
InChIInChI=1S/C32H19Cl2F3N2O2S/c33-20-9-12-23(25(34)15-20)29-24-11-8-17-4-1-2-7-22(17)28(24)38-31-39(29)30(40)27(42-31)16-21-10-13-26(41-21)18-5-3-6-19(14-18)32(35,36)37/h1-7,9-10,12-16,29H,8,11H2/t29-/m1/s1
InChIKPXNDGPJPWJVUSG-GDLZYMKVSA-N
TotalMolweight623.481
Molweight623.481
MonoisotopicMass622.049636
CLogP8.8066
CLogS-9.816
H Acceptors4
TotalSurfaceArea418.19
Relative PSA0.14276
PolarSurfaceArea71.11
Druglikeness-3.1924
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms42
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms2
Amides1
StereoConracemate

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