4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid

Formula:C42H32N4O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid is not a drug-like molecule.

MolName	4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid
MolecularFormula	C42H32N4O10S2
Smiles	OC(c(cc1)ccc1NS(c1c(/C=C/c(ccc(NC(c2ccccc2)=O)c2)c2S(Nc(cc2)ccc2C(O)=O)(=O)=O)ccc(NC(c2ccccc2)=O)c1)(=O)=O)=O
InChI	InChI=1S/C42H32N4O10S2/c47-39(29-7-3-1-4-8-29)43-35-23-13-27(37(25-35)57(53,54)45-33-19-15-31(16-20-33)41(49)50)11-12-28-14-24-36(44-40(48)30-9-5-2-6-10-30)26-38(28)58(55,56)46-34-21-17-32(18-22-34)42(51)52/h1-26,45-46H,(H,43,47)(H,44,48)(H,49,50)(H,51,52
InChIK	TXZPRGMAOALXHD-UHFFFAOYSA-N
TotalMolweight	816.866
Molweight	816.866
MonoisotopicMass	816.155986
CLogP	5.73
CLogS	-9.468
H Acceptors	14
H Donors	6
TotalSurfaceArea	585.26
Relative PSA	0.30988
PolarSurfaceArea	241.9
Druglikeness	1.0368
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.37931
Fragments	1
Non HAtoms	58
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	12
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	4
Symmetricatoms	34
Amides	4
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid | 2 - 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid

Request More Details | 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments