COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334189
Chemical Name: ethyl6-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-4-(phenylsulfonyl)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(c(c(c2)CN(C)C)O)S(=O)(=O)c1ccccc1)C

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Saltdata: HCl
Molecular Weight: 430.52
Empirical Formula: C22H26N2O5S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 3.471
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 3

     

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