COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546262
Chemical Name: (2E,9bR)-6-acetyl-2-(1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: O=C(N1CCc2c(C1)cccc2)CN/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: 516.55
Empirical Formula: C29H28N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.721
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 133
Number of rings: 5

     

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