COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182995
Chemical Name: 5-(3-{(1E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylicacid
Smiles: N#C/C(=C\c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)/C(=O)Nc1ccc(cc1)CC

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Molecular Weight: 457.49
Empirical Formula: C26H23N3O5

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 5.6
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 132
Number of rings: 3

     

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