COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378665
Chemical Name: ethyl2-[(4E)-4-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(n(c2C)c2cccc(c2C)C)C)/C1=O)C

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Molecular Weight: 476.6
Empirical Formula: C26H28N4O3S

Physical State: Dry powder
Available Amount: 938 mg

Lipinsky:
logP: 6.153
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 4

     

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