COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK210433
Chemical Name: 2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CCSc1nn2c(n1)NC1=C(C2c2ccc(c(c2)OC)O)C(=O)CC(C1)(C)C

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Molecular Weight: 400.5
Empirical Formula: C20H24N4O3S

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 3.678
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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