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1-(4-chlorophenyl)-3-[7-[(E)-1-[3-[(4-chlorophenyl)carbamoylamino]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-2-oxo-4-phenylbut-3-enyl]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea

Formula:C32H22N14O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-3-[7-[(E)-1-[3-[(4-chlorophenyl)carbamoylamino]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-2-oxo-4-phenylbut-3-enyl]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea is not a drug-like molecule.
MolName1-(4-chlorophenyl)-3-[7-[(E)-1-[3-[(4-chlorophenyl)carbamoylamino]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-2-oxo-4-phenylbut-3-enyl]-6-oxo-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea
MolecularFormulaC32H22N14O5Cl2
SmilesO=C(C(C1=Nc2nnc(NC(Nc(cc3)ccc3Cl)=O)n2NC1=O)C1=Nc2nnc(NC(Nc(cc3)ccc3Cl)=O)n2NC1=O)/C=C/c1ccccc1
InChIInChI=1S/C32H22Cl2N14O5/c33-17-7-11-19(12-8-17)35-31(52)39-29-43-41-27-37-23(25(50)45-47(27)29)22(21(49)15-6-16-4-2-1-3-5-16)24-26(51)46-48-28(38-24)42-44-30(48)40-32(53)36-20-13-9-18(34)10-14-20/h1-15,22H,(H,45,50)(H,46,51)(H2,35,39,43,52)(H2,36,40,44,53
InChIKPRIGAZCYRLEADK-UHFFFAOYSA-N
TotalMolweight753.526
Molweight753.526
MonoisotopicMass752.127465
CLogP2.9305
CLogS-13.598
H Acceptors19
H Donors6
TotalSurfaceArea532.03
Relative PSA0.40336
PolarSurfaceArea243.67
Druglikeness6.3782
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.50943
Fragments1
Non HAtoms53
NonCHAtoms21
Electronegative Atoms21
Rotatable Bond9
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms1
Symmetricatoms25
Amides4
Aromatic Nitrogens6
StereoCon

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