COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK652535
Chemical Name: ethyl4-(N-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanyl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)C

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Molecular Weight: 455.54
Empirical Formula: C22H25N5O4S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.754
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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