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(14E)-11-(4-chlorophenyl)-14-(1H-indol-3-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C29H20N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(4-chlorophenyl)-14-(1H-indol-3-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-(4-chlorophenyl)-14-(1H-indol-3-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC29H20N3OClS
SmilesO=C(/C(/S1)=C\c2c[nH]c3c2cccc3)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1Cl
InChIInChI=1S/C29H20ClN3OS/c30-20-12-9-18(10-13-20)27-23-14-11-17-5-1-2-7-22(17)26(23)32-29-33(27)28(34)25(35-29)15-19-16-31-24-8-4-3-6-21(19)24/h1-10,12-13,15-16,27,31H,11,14H2/t27-/m1/s1
InChIKIXLOIGBGWOPVSU-HHHXNRCGSA-N
TotalMolweight494.017
Molweight494.017
MonoisotopicMass493.101559
CLogP6.4528
CLogS-7.367
H Acceptors4
H Donors1
TotalSurfaceArea348.03
Relative PSA0.17119
PolarSurfaceArea73.76
Druglikeness3.2655
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoConracemate

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