COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL476518
Chemical Name: 3-{[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Brc1ccc(s1)c1[nH]nc(c1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 445.34
Empirical Formula: C19H17BrN4O2S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 0.946
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 5

     

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