COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK790540
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-7,8-dimethyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Fc1ccc(cc1)N1CN(Cc2ccc3c(c2)OCO3)Cn2c1nc(C)c(c2=O)C

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Molecular Weight: 408.43
Empirical Formula: C22H21FN4O3

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 2.475
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 57
Number of rings: 5

     

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