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4-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid

Formula:C28H19N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid is not a drug-like molecule.
MolName4-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid
MolecularFormulaC28H19N2O3FS
SmilesOC(c1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c4cc(F)ccc4)N3C2=O)cc1)=O
InChIInChI=1S/C28H19FN2O3S/c29-20-6-3-5-19(15-20)25-22-13-12-17-4-1-2-7-21(17)24(22)30-28-31(25)26(32)23(35-28)14-16-8-10-18(11-9-16)27(33)34/h1-11,14-15,25H,12-13H2,(H,33,34)/t25-/m0/s1
InChIKWSQDSGFVQUXXPV-VWLOTQADSA-N
TotalMolweight482.534
Molweight482.534
MonoisotopicMass482.110041
CLogP5.3933
CLogS-6.433
H Acceptors5
H Donors1
TotalSurfaceArea338.89
Relative PSA0.21166
PolarSurfaceArea95.27
Druglikeness1.6417
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45714
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
AcidicOxygens1
StereoConracemate

Request More Details | 4-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid


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