COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546673
Chemical Name: N-[4-(acetylamino)phenyl]-N~3~-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-beta-alaninamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CCN/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: 547.56
Empirical Formula: C29H29N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.428
Rotatable bonds: 6
H-donors: 5
H-acceptors: 8
PSA: 171
Number of rings: 4

     

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