COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381862
Chemical Name: ethyl2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Smiles: CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 446.44
Empirical Formula: C19H18N4O7S

Physical State: Dry powder
Available Amount: 543 mg

Lipinsky:
logP: 1.15
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 163
Number of rings: 5

     

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