COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553747
Chemical Name: 1-[3-(2-chlorophenoxy)propyl]-1H-benzimidazol-2-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Smiles: CC(=O)OCC1OC(Sc2nc3c(n2CCCOc2ccccc2Cl)cccc3)C(C(C1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 648.13
Empirical Formula: C30H34ClN3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.797
Rotatable bonds: 15
H-donors: 1
H-acceptors: 9
PSA: 169
Number of rings: 4

     

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