COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541071
Chemical Name: (3S,3aR,4aR,8aR,9aR)-3-(((6R,6aR,13R,13aS)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxir
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCCC3=C[C@@H]4C[C@H]([C@H]13)CN1CCCC[C@H]41)C[C@@H]1[C@](C2)(C)CCCC21OC2

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Molecular Weight: 480.69
Empirical Formula: C30H44N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.841
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 8

     

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