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5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

Formula:C40H38N12O8S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate is not a drug-like molecule.
MolName5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
MolecularFormulaC40H38N12O8S2
Smiles[O-]S(c1c(/C=C/c(ccc(Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)c2)c2S([O-])(=O)=O)ccc(Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)c1)(=O)=O
InChIInChI=1S/C40H40N12O8S2/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52/h1-16,25-26H,17-24H2,(H,53,54,
InChIKYGUMVDWOQQJBGA-UHFFFAOYSA-L
TotalMolweight878.95
Molweight878.95
MonoisotopicMass878.237698
CLogP0.1932
CLogS-7.854
H Acceptors20
H Donors4
TotalSurfaceArea632.86
Relative PSA0.35471
PolarSurfaceArea281.56
Druglikeness-8.4571
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.45161
Fragments1
Non HAtoms62
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond14
Rings Closures8
Small Rings8
Aromatic Rings6
Aromatic Atoms36
Sp3Atoms14
Symmetricatoms36
Aromatic Nitrogens6
BasicNitrogens6
AcidicOxygens2
StereoCon

Request More Details | 5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate


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