COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL280453
Chemical Name: 2-amino-3-methyl-5-[(Z)-{(4Z)-4-[(4-sulfonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene}{4-[(4-sulfophenyl)amino]phenyl}methyl]benzenesulfonate
Smiles: Cc1cc(cc(c1N)S(=O)(=O)[O-])/C(=C/1\C=C/C(=N\c2ccc(cc2)S(=O)(=O)[O-])/C=C1)/c1ccc(cc1)Nc1ccc(cc1)S(=O)(=O)O

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Saltdata: 2Na+
Molecular Weight: 691.76
Empirical Formula: C32H25N3O9S3

Available Amount: 0 mg

Lipinsky:
logP: 2.817
Rotatable bonds: 2
H-donors: 4
H-acceptors: 9
PSA: 244
Number of rings: 5

     

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