COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550070
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({4-[(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)amino]phenyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: OC1CS(=O)(=O)CC1Nc1ccc(cc1)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: 568.6
Empirical Formula: C28H28N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.882
Rotatable bonds: 5
H-donors: 5
H-acceptors: 9
PSA: 187
Number of rings: 5

     

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