COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186107
Chemical Name: 3-{3-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoicacid
Smiles: N#C/C(=C\c1cc(n(c1C)c1cccc(c1C)C(=O)O)C)/C(=O)NCc1ccccc1

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Molecular Weight: 413.48
Empirical Formula: C25H23N3O3

Physical State: Dry powder
Available Amount: 19 mg

Lipinsky:
logP: 5.016
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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