COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001953
Chemical Name: ethyl12-amino-6,7,8,9-tetrachloro-1,2,3,4-tetrahydro-4a,10a-(epithioetheno)oxanthrene-11-carboxylate
Smiles: CCOC(=O)C1=C(N)SC23C1(CCCC2)Oc1c(Cl)c(Cl)c(c(c1O3)Cl)Cl

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Molecular Weight: 471.19
Empirical Formula: C17H15Cl4NO4S

Physical State: Dry powder
Available Amount: 3270 mg

Lipinsky:
logP: 7.712
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 96
Number of rings: 4

     

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