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(6E)-6-[[[2-[4-[6-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Formula:C34H24N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-[[[2-[4-[6-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is not a drug-like molecule.
MolName(6E)-6-[[[2-[4-[6-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MolecularFormulaC34H24N6O2
SmilesO=C(C=CC=C1)/C1=C/Nc(cc1)cc2c1nc(-c(cc1)ccc1-c1nc(ccc(N/C=C(\C=CC=C3)/C3=O)c3)c3[nH]1)[nH]2
InChIInChI=1S/C34H24N6O2/c41-31-7-3-1-5-23(31)19-35-25-13-15-27-29(17-25)39-33(37-27)21-9-11-22(12-10-21)34-38-28-16-14-26(18-30(28)40-34)36-20-24-6-2-4-8-32(24)42/h1-20,35-36H,(H,37,39)(H,38,40)
InChIKOZWBDLRKCWJWSA-UHFFFAOYSA-N
TotalMolweight548.605
Molweight548.605
MonoisotopicMass548.196074
CLogP4.247
CLogS-8.468
H Acceptors8
H Donors4
TotalSurfaceArea425.48
Relative PSA0.23249
PolarSurfaceArea115.56
Druglikeness2.3119
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61905
Fragments1
Non HAtoms42
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms24
Symmetricatoms22
Aromatic Nitrogens4
BasicNitrogens2
StereoCon

Request More Details | (6E)-6-[[[2-[4-[6-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one


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