COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK461175
Chemical Name: (2E)-2-cyano-N-(3-cyanothiophen-2-yl)-3-[3-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)CC)/C(=O)Nc1sccc1C#N

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Molecular Weight: 373.44
Empirical Formula: C20H15N5OS

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 4.306
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 133
Number of rings: 3

     

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