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(14E)-11-(4-chlorophenyl)-14-[(4-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C27H19N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(4-chlorophenyl)-14-[(4-hydroxyphenyl)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-[(4-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC27H19N2O2ClS
SmilesOc1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c(cc4)ccc4Cl)N3C2=O)cc1
InChIInChI=1S/C27H19ClN2O2S/c28-19-10-7-18(8-11-19)25-22-14-9-17-3-1-2-4-21(17)24(22)29-27-30(25)26(32)23(33-27)15-16-5-12-20(31)13-6-16/h1-8,10-13,15,25,31H,9,14H2/t25-/m1/s1
InChIKBDATYCQZHDFERC-RUZDIDTESA-N
TotalMolweight470.979
Molweight470.979
MonoisotopicMass470.085575
CLogP6.0677
CLogS-6.546
H Acceptors4
H Donors1
TotalSurfaceArea330.21
Relative PSA0.17774
PolarSurfaceArea78.2
Druglikeness3.1249
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms4
Amides1
StereoConracemate

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