COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK648952
Chemical Name: methyl4-[(N-{[(3R)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-beta-alanyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

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Molecular Weight: 439.49
Empirical Formula: C22H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.667
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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