COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK832052
Chemical Name: N-{(1E)-3-(azepan-1-yl)-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: CSc1ccc(cc1)/C=C(\C(=O)N1CCCCCC1)/NC(=O)c1ccccc1

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Molecular Weight: 394.54
Empirical Formula: C23H26N2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.053
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 74
Number of rings: 3

     

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