COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688812
Chemical Name: methyl(4-{[(6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonothioyl]amino}phenyl)acetate
Smiles: COC(=O)Cc1ccc(cc1)NC(=S)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31

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Molecular Weight: 439.62
Empirical Formula: C25H33N3O2S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.722
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 76
Number of rings: 5

     

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