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(14E)-14-(1H-indol-3-ylmethylidene)-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:C27H19N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-(1H-indol-3-ylmethylidene)-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-(1H-indol-3-ylmethylidene)-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
MolecularFormulaC27H19N3OS2
SmilesO=C(/C(/S1)=C\c2c[nH]c3c2cccc3)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C27H19N3OS2/c31-26-23(14-17-15-28-21-9-4-3-7-18(17)21)33-27-29-24-19-8-2-1-6-16(19)11-12-20(24)25(30(26)27)22-10-5-13-32-22/h1-10,13-15,25,28H,11-12H2/t25-/m0/s1
InChIKMRZRVOUJFOTGRT-VWLOTQADSA-N
TotalMolweight465.6
Molweight465.6
MonoisotopicMass465.096952
CLogP5.7134
CLogS-6.641
H Acceptors4
H Donors1
TotalSurfaceArea328.55
Relative PSA0.24331
PolarSurfaceArea102
Druglikeness3.7267
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms4
Amides1
Aromatic Nitrogens1
StereoConracemate

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