COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183133
Chemical Name: ethyl(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)Nc1cccc(c1)Br)\C#N

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Molecular Weight: 452.31
Empirical Formula: C22H18BrN3O3

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 5.324
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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