COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548301
Chemical Name: (2E,9bR)-6-acetyl-2-[1-({1-[3-(2-chlorophenyl)-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)c1ccccc1Cl)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: 610.09
Empirical Formula: C30H28ClN3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.903
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 177
Number of rings: 5

     

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