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(14Z)-14-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-11-(4-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C38H26N2O2BrFS Mutagenic:high Tumorigenic:high Reproductive Effective:high (14Z)-14-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-11-(4-fluorophenyl)-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-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-11-(4-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC38H26N2O2BrFS
SmilesO=C(/C(/S1)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2Br)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1F
InChIInChI=1S/C38H26BrFN2O2S/c39-27-15-9-23(10-16-27)22-44-33-20-14-24-5-1-3-7-29(24)32(33)21-34-37(43)42-36(26-11-17-28(40)18-12-26)31-19-13-25-6-2-4-8-30(25)35(31)41-38(42)45-34/h1-12,14-18,20-21,36H,13,19,22H2/t36-/m1/s1
InChIKPVEGFPIJYSQMHE-PSXMRANNSA-N
TotalMolweight673.604
Molweight673.604
MonoisotopicMass672.088237
CLogP9.1759
CLogS-10.201
H Acceptors4
TotalSurfaceArea451.54
Relative PSA0.12311
PolarSurfaceArea67.2
Druglikeness-0.26667
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.42222
Fragments1
Non HAtoms45
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond5
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Symmetricatoms4
Amides1
StereoConracemate

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