COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539945
Chemical Name: (3aS,4S,6aR)-4-(5-oxo-5-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-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)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 428.6
Empirical Formula: C23H32N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.244
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 89
Number of rings: 4

     

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