COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040958
Chemical Name: butyl1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: [O-][N+](=O)c1cc2OCOc2cc1C1NC(=O)N(C(=C1C(=O)OCCCC)C)C

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Molecular Weight: 391.38
Empirical Formula: C18H21N3O7

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.137
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 122
Number of rings: 3

     

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