COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL156578
Chemical Name: methylN-{[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-beta-alaninate
Smiles: COC(=O)CCNC(=O)c1cnn(c1n1cccc1)c1cc(F)ccc1Cl

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Molecular Weight: 390.8
Empirical Formula: C18H16ClFN4O3

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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