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(14E)-11-(4-chlorophenyl)-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:C32H20N2O2ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-(4-chlorophenyl)-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-(4-chlorophenyl)-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
MolecularFormulaC32H20N2O2ClF3S
SmilesO=C(/C(/S1)=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1Cl
InChIInChI=1S/C32H20ClF3N2O2S/c33-22-11-8-19(9-12-22)29-25-14-10-18-4-1-2-7-24(18)28(25)37-31-38(29)30(39)27(41-31)17-23-13-15-26(40-23)20-5-3-6-21(16-20)32(34,35)36/h1-9,11-13,15-17,29H,10,14H2/t29-/m1/s1
InChIKPMXUXMAPNLNOQK-GDLZYMKVSA-N
TotalMolweight589.036
Molweight589.036
MonoisotopicMass588.088609
CLogP8.2006
CLogS-9.08
H Acceptors4
TotalSurfaceArea402.77
Relative PSA0.14822
PolarSurfaceArea71.11
Druglikeness-3.1924
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms4
Amides1
StereoConracemate

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