COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182372
Chemical Name: 3-(3-{(1Z)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoicacid
Smiles: CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)O)C)/C#N

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Molecular Weight: 429.48
Empirical Formula: C25H23N3O4

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 5.323
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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