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(14Z)-14-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]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:C38H25N2O2Br2FS Mutagenic:low Tumorigenic:high Reproductive Effective:high (14Z)-14-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]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-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]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
MolecularFormulaC38H25N2O2Br2FS
SmilesO=C(/C(/S1)=C/c(cc2Br)cc(Br)c2OCc2cccc3ccccc23)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1F
InChIInChI=1S/C38H25Br2FN2O2S/c39-31-18-22(19-32(40)36(31)45-21-26-9-5-8-23-6-1-3-10-28(23)26)20-33-37(44)43-35(25-12-15-27(41)16-13-25)30-17-14-24-7-2-4-11-29(24)34(30)42-38(43)46-33/h1-13,15-16,18-20,35H,14,17,21H2/t35-/m1/s1
InChIKPVMKKMASSYIJJB-PGUFJCEWSA-N
TotalMolweight752.501
Molweight752.501
MonoisotopicMass749.998748
CLogP9.9011
CLogS-11.035
H Acceptors4
TotalSurfaceArea470.17
Relative PSA0.11823
PolarSurfaceArea67.2
Druglikeness-0.26667
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45652
Fragments1
Non HAtoms46
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond5
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms6
Symmetricatoms5
Amides1
StereoConracemate

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