COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529060
Chemical Name: (3S,3aR,4aR,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(3-hydroxypropyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-oneoxalate
Smiles: OCCCN(CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2)Cc1ccc(c(c1)OC)OC

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Saltdata: (COOH)2
Molecular Weight: 473.61
Empirical Formula: C27H39NO6

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 1.765
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 80
Number of rings: 5

     

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