COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546675
Chemical Name: 2-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N,N-dimethylethanesulfonamide
Smiles: C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCS(=O)(=O)N(C)C

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Molecular Weight: 478.52
Empirical Formula: C22H26N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.708
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 158
Number of rings: 3

     

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