COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548004
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({2-[(2-hydroxyethyl)sulfanyl]ethyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: OCCSCCN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C

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Molecular Weight: 447.51
Empirical Formula: C22H25NO7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.853
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 158
Number of rings: 3

     

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