COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548734
Chemical Name: methylN-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-L-isoleucinate
Smiles: CC[C@@H]([C@@H](C(=O)OC)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: 471.51
Empirical Formula: C25H29NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.986
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 139
Number of rings: 3

     

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