COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545071
Chemical Name: 3-(2-{[(4-tert-butylphenyl)carbonyl]amino}-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl4-tert-butylbenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 716.9
Empirical Formula: C42H44N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 12.433
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 6

     

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