COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050723
Chemical Name: 2-[(Z)-(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: COC(=O)CN(CC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(C)c(c(c2)CN(CC(=O)OC)CC(=O)OC)O)/C=C(C1=O)C)CC(=O)OC

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Molecular Weight: 728.77
Empirical Formula: C35H40N2O13S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.171
Rotatable bonds: 19
H-donors: 2
H-acceptors: 13
PSA: 211
Number of rings: 3

     

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