COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374794
Chemical Name: 4-hydroxy-3-({2-[methyl(octadecyl)amino]-5-sulfophenyl}carbamoyl)naphthalene-1-sulfonate
Smiles: CCCCCCCCCCCCCCCCCCN(c1ccc(cc1NC(=O)c1cc(c2c(c1O)cccc2)S(=O)(=O)[O-])S(=O)(=O)O)C

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Saltdata: Na+
Molecular Weight: 703.94
Empirical Formula: C36H51N2O8S2

Physical State: Dry powder
Available Amount: 1021 mg

Lipinsky:
logP: 9.207
Rotatable bonds: 21
H-donors: 3
H-acceptors: 8
PSA: 180
Number of rings: 3

     

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