COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074431
Chemical Name: N-[(1E)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Smiles: COc1cc(ccc1OC)/C=C(\C(=O)N1CCCCCC1)/NC(=O)c1ccc(cc1)C

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Molecular Weight: 422.52
Empirical Formula: C25H30N2O4

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 3.854
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 3

     

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