COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781568
Chemical Name: 5-amino-7-(6-bromo-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carbonitrile1,1-dioxide
Smiles: N#CC1=C(N)N(c2ccc(cc2)OC)C2=C(C1c1cc3OCOc3cc1Br)S(=O)(=O)CC2

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Molecular Weight: 516.37
Empirical Formula: C22H18BrN3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.829
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 123
Number of rings: 5

     

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