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

Formula:C25H17N2OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(2-chlorophenyl)-14-(thiophen-2-ylmethylidene)-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-(2-chlorophenyl)-14-(thiophen-2-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC25H17N2OClS2
SmilesO=C(/C(/S1)=C\c2cccs2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cccc1)c1Cl
InChIInChI=1S/C25H17ClN2OS2/c26-20-10-4-3-9-18(20)23-19-12-11-15-6-1-2-8-17(15)22(19)27-25-28(23)24(29)21(31-25)14-16-7-5-13-30-16/h1-10,13-14,23H,11-12H2/t23-/m1/s1
InChIKDLEGXKBFFDSDFL-HSZRJFAPSA-N
TotalMolweight461.008
Molweight461.008
MonoisotopicMass460.04708
CLogP6.28
CLogS-6.852
H Acceptors3
TotalSurfaceArea319.8
Relative PSA0.20622
PolarSurfaceArea86.21
Druglikeness3.63
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41935
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Amides1
StereoConracemate

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