COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179112
Chemical Name: 5-(3-{(1E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylicacid
Smiles: COc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)/C#N

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Molecular Weight: 459.46
Empirical Formula: C25H21N3O6

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 4.868
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 141
Number of rings: 3

     

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