COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438034
Chemical Name: ethyl3-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/C=C\1/C(=O)N(c3ccccc3)C(=S)N(C1=O)c1ccc(cc1)Br)cccc2

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Molecular Weight: 574.45
Empirical Formula: C28H20BrN3O4S

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 6.426
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 5

     

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