COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528829
Chemical Name: trans-4-[({N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CC[C@@H]([C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C

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Molecular Weight: 424.56
Empirical Formula: C21H32N2O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.043
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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