COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186482
Chemical Name: methyl3-(3-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: CCOc1cccc(c1)NC(=O)/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/C#N

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Molecular Weight: 443.5
Empirical Formula: C26H25N3O4

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 5.935
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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