COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473609
Chemical Name: ethyl4-(4-bromophenyl)-2-{[(2E)-2-cyano-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1cnn(c1)CC)/C#N

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Molecular Weight: 499.39
Empirical Formula: C22H19BrN4O3S

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 6.168
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 3

     

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