COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542108
Chemical Name: N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Smiles: O=C1N[C@@H]2[C@H](N1)[C@@H](SC2)CCCCC(=O)N[C@H](c1nc2c(n1C)cccc2)C

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Molecular Weight: 401.53
Empirical Formula: C20H27N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.609
Rotatable bonds: 6
H-donors: 3
H-acceptors: 2
PSA: 113
Number of rings: 4

     

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