COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473408
Chemical Name: propan-2-yl2-({(2E)-3-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Br)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 485.36
Empirical Formula: C21H17BrN4O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.584
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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