COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL230153
Chemical Name: 4-[(1Z)-3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl4,5-dibromothiophene-2-carboxylate
Smiles: CCCCNC(=O)/C(=C\c1ccc(cc1)OC(=O)c1sc(c(c1)Br)Br)/C#N

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Molecular Weight: 512.22
Empirical Formula: C19H16Br2N2O3S

Available Amount: 0 mg

Lipinsky:
logP: 5.515
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 2

     

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