COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK368107
Chemical Name: 4-amino-6-[(E)-{4-[(E)-(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Smiles: COc1cc(/N=N/c2c(O)c3c(O)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])C

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Saltdata: 4Na+
Molecular Weight: 809.75
Empirical Formula: C28H19N5O16S4

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: -1.565
Rotatable bonds: 4
H-donors: 5
H-acceptors: 16
PSA: 407
Number of rings: 5

     

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