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(14E)-14-[(2,3-dichlorophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C25H16N2OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[(2,3-dichlorophenyl)methylidene]-11-thiophen-2-yl-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)-14-[(2,3-dichlorophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC25H16N2OCl2S2
SmilesO=C(/C(/S1)=C\c2cccc(Cl)c2Cl)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C25H16Cl2N2OS2/c26-18-8-3-6-15(21(18)27)13-20-24(30)29-23(19-9-4-12-31-19)17-11-10-14-5-1-2-7-16(14)22(17)28-25(29)32-20/h1-9,12-13,23H,10-11H2/t23-/m1/s1
InChIKHOAYLMPKDRYONQ-HSZRJFAPSA-N
TotalMolweight495.453
Molweight495.453
MonoisotopicMass494.008107
CLogP6.886
CLogS-7.588
H Acceptors3
TotalSurfaceArea335.22
Relative PSA0.19674
PolarSurfaceArea86.21
Druglikeness3.63
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.4375
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Amides1
StereoConracemate

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