COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537950
Chemical Name: (3S,3aR,5S,8aR,9aR)-3-((4-(3,4-dichlorophenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)C=C1[C@](C2)(C)CCC[C@@H]1C

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Molecular Weight: 463.45
Empirical Formula: C25H32Cl2N2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.408
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 32
Number of rings: 5

     

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