COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL350830
Chemical Name: 1-{2-[(3-chlorophenyl)amino]ethyl}-3,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: Clc1cccc(c1)NCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)C

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Molecular Weight: 401.86
Empirical Formula: C18H20ClN7O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.186
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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