COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980868
Chemical Name: 4-amino-5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one
Smiles: CCCSc1nc(N)c2c(n1)NC1=C(C2c2ccc3c(c2)OCO3)C(=O)CC(C1)(C)C

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Molecular Weight: 438.55
Empirical Formula: C23H26N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.473
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 124
Number of rings: 5

     

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