COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015700
Chemical Name: 1-{(1E)-3-(azepan-1-yl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}pyridin-2(1H)-one
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O)N1CCCCCC1

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Molecular Weight: 365.48
Empirical Formula: C22H27N3O2

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 3.347
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 3

     

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