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(14E)-11-phenyl-14-[(5-piperidin-1-ylfuran-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:C30H27N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-phenyl-14-[(5-piperidin-1-ylfuran-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-phenyl-14-[(5-piperidin-1-ylfuran-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
MolecularFormulaC30H27N3O2S
SmilesO=C(/C(/S1)=C\c2ccc(N3CCCCC3)o2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1ccccc1
InChIInChI=1S/C30H27N3O2S/c34-29-25(19-22-14-16-26(35-22)32-17-7-2-8-18-32)36-30-31-27-23-12-6-5-9-20(23)13-15-24(27)28(33(29)30)21-10-3-1-4-11-21/h1,3-6,9-12,14,16,19,28H,2,7-8,13,15,17-18H2/t28-/m0/s1
InChIKLJSUDOYJPAHXNG-NDEPHWFRSA-N
TotalMolweight493.629
Molweight493.629
MonoisotopicMass493.182397
CLogP6.1805
CLogS-7.305
H Acceptors5
TotalSurfaceArea363.73
Relative PSA0.17389
PolarSurfaceArea74.35
Druglikeness4.3365
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.47222
Fragments1
Non HAtoms36
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms4
Amides1
StereoConracemate

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