COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528782
Chemical Name: (1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-oneoxalate
Smiles: O=C1O[C@@]23[C@H](C1CN1CCN(CC1)Cc1ccc4c(c1)OCO4)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C

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Saltdata: (COOH)2
Molecular Weight: 468.59
Empirical Formula: C27H36N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.733
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 63
Number of rings: 7

     

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