COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546582
Chemical Name: (2E,9bR)-6-acetyl-2-{1-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]ethylidene}-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Smiles: C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCC1COc2c(O1)cccc2

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Molecular Weight: 491.5
Empirical Formula: C27H25NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.37
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 131
Number of rings: 5

     

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