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(14Z)-11-(4-fluorophenyl)-14-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C34H23N2O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:high (14Z)-11-(4-fluorophenyl)-14-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-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(14Z)-11-(4-fluorophenyl)-14-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H23N2O2FS
SmilesC#CCOc1c(/C=C2\SC3=NC(c4c(CC5)cccc4)=C5C(c(cc4)ccc4F)N3C2=O)c2ccccc2cc1
InChIInChI=1S/C34H23FN2O2S/c1-2-19-39-29-18-14-21-7-3-5-9-25(21)28(29)20-30-33(38)37-32(23-11-15-24(35)16-12-23)27-17-13-22-8-4-6-10-26(22)31(27)36-34(37)40-30/h1,3-12,14-16,18,20,32H,13,17,19H2/t32-/m0/s1
InChIKTXCRGHVLEDJVTC-YTTGMZPUSA-N
TotalMolweight542.633
Molweight542.633
MonoisotopicMass542.146426
CLogP7.0598
CLogS-8.668
H Acceptors4
TotalSurfaceArea396.96
Relative PSA0.14004
PolarSurfaceArea67.2
Druglikeness1.5736
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.4
Fragments1
Non HAtoms40
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms6
Symmetricatoms2
Amides1
StereoConracemate

Request More Details | (14Z)-11-(4-fluorophenyl)-14-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one


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