COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK646513
Chemical Name: methylN-acetyl-N-(4-{[(3Z)-3-{[(4-methylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}phenyl)-beta-alaninate
Smiles: COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C)C(=O)C

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Molecular Weight: 533.61
Empirical Formula: C27H27N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.325
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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