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4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-[4-[6-[[4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

Formula:C41H30N6O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-[4-[6-[[4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is not a drug-like molecule.
MolName4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-[4-[6-[[4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
MolecularFormulaC41H30N6O4
SmilesO=C(c(cc1)ccc1N/C=C(/C=CC=C1)\C1=O)Nc(cc1)ccc1-c1nc(ccc(NC(c(cc2)ccc2N/C=C(\C=CC=C2)/C2=O)=O)c2)c2[nH]1
InChIInChI=1S/C41H30N6O4/c48-37-7-3-1-5-29(37)24-42-31-15-11-27(12-16-31)40(50)44-33-19-9-26(10-20-33)39-46-35-22-21-34(23-36(35)47-39)45-41(51)28-13-17-32(18-14-28)43-25-30-6-2-4-8-38(30)49/h1-25,42-43H,(H,44,50)(H,45,51)(H,46,47)
InChIKFMKQJXDPEOWONO-UHFFFAOYSA-N
TotalMolweight670.727
Molweight670.727
MonoisotopicMass670.232854
CLogP5.2994
CLogS-9.136
H Acceptors10
H Donors5
TotalSurfaceArea520.73
Relative PSA0.23613
PolarSurfaceArea145.08
Druglikeness3.0849
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms51
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms27
Symmetricatoms6
Amides2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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