COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549434
Chemical Name: N-[6-({(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)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Smiles: CC(C(=O)Nc1sc2c(n1)ccc(c2)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C

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Molecular Weight: 561.62
Empirical Formula: C29H27N3O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.639
Rotatable bonds: 4
H-donors: 4
H-acceptors: 7
PSA: 183
Number of rings: 5

     

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