COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537351
Chemical Name: (2S)-cyclohexa-1,4-dien-1-yl{[(1-{N-[(4-methylphenyl)sulfonyl]-L-valyl}piperidin-4-yl)carbonyl]amino}ethanoicacid
Smiles: CC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](C1=CCC=CC1)C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C

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Molecular Weight: 517.65
Empirical Formula: C26H35N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.351
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 141
Number of rings: 3

     

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