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

Formula:C28H18N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14Z)-11-(2-chlorophenyl)-14-(2-oxo-1H-indol-3-ylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is a drug-like molecule.
MolName(14Z)-11-(2-chlorophenyl)-14-(2-oxo-1H-indol-3-ylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC28H18N3O2ClS
SmilesO=C1Nc(cccc2)c2/C1=C1/SC2=NC(c3c(CC4)cccc3)=C4C(c(cccc3)c3Cl)N2C1=O
InChIInChI=1S/C28H18ClN3O2S/c29-20-11-5-3-9-17(20)24-19-14-13-15-7-1-2-8-16(15)23(19)31-28-32(24)27(34)25(35-28)22-18-10-4-6-12-21(18)30-26(22)33/h1-12,24H,13-14H2,(H,30,33)/t24-/m1/s1
InChIKQTSJGSRWXZBOJV-XMMPIXPASA-N
TotalMolweight495.989
Molweight495.989
MonoisotopicMass495.080824
CLogP4.8125
CLogS-6.459
H Acceptors5
H Donors1
TotalSurfaceArea337.78
Relative PSA0.2075
PolarSurfaceArea87.07
Druglikeness4.2929
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.4
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond1
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Amides2
StereoConracemate

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