COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553145
Chemical Name: (3S,3aR,8aR,9aR)-3-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC=C1C

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Molecular Weight: 381.47
Empirical Formula: C23H27NO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.197
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 5

     

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