COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434565
Chemical Name: methyl2-({(2E)-3-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)-5-propylthiophene-3-carboxylate
Smiles: CCCc1cc(c(s1)NC(=O)/C(=C/c1c[nH]nc1c1ccc(cc1)Cl)/C#N)C(=O)OC

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Molecular Weight: 454.94
Empirical Formula: C22H19ClN4O3S

Physical State: Dry powder
Available Amount: 715 mg

Lipinsky:
logP: 6.894
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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