COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK210432
Chemical Name: 9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CCOc1cc(ccc1O)C1C2=C(Nc3n1nc(n3)SCC)CC(CC2=O)(C)C

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Molecular Weight: 414.53
Empirical Formula: C21H26N4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.21
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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