COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK210434
Chemical Name: 9-(3,4-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: CCSc1nc2n(n1)C(c1ccc(c(c1)OC)OC)C1=C(N2)CC(CC1=O)(C)C

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Molecular Weight: 414.53
Empirical Formula: C21H26N4O3S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 4.447
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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