COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545975
Chemical Name: N-{(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-alanyl-beta-alanine
Smiles: O=C(NCCC(=O)O)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: 486.48
Empirical Formula: C24H26N2O9

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.637
Rotatable bonds: 10
H-donors: 5
H-acceptors: 9
PSA: 179
Number of rings: 3

     

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