COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547348
Chemical Name: (2E,9bR)-6-acetyl-2-[1-({1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propyl}amino)ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: CSCCC(c1onc(n1)c1ccc(c(c1)OC)OC)N/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: 635.69
Empirical Formula: C32H33N3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.968
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 195
Number of rings: 5

     

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