COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539505
Chemical Name: (3aS,4S,6aR)-4-[5-oxo-5-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)pentyl]tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Smiles: O=C1N[C@@H]2[C@H](N1)[C@@H](SC2)CCCCC(=O)N1CCc2c(C1)[nH]c1c2cccc1

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Molecular Weight: 398.53
Empirical Formula: C21H26N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.94
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 102
Number of rings: 5

     

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