COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530188
Chemical Name: (3S,3aR,8aR,9aR)-5,8a-dimethyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-oneoxalate
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)CC1=C(C)CCC[C@@]1(C2)C

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Saltdata: (COOH)2
Molecular Weight: 396.53
Empirical Formula: C23H32N4O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.995
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 58
Number of rings: 5

     

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