COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553468
Chemical Name: (3S,3aR,8aR,9aR)-3-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)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](C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC=C1C

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Molecular Weight: 450.58
Empirical Formula: C27H34N2O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.546
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 51
Number of rings: 6

     

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