COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539391
Chemical Name: N-[(11aS)-11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Smiles: O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=N2)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

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Molecular Weight: 457.55
Empirical Formula: C22H27N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.478
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 148
Number of rings: 5

     

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