COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410095
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1cc3cc4OCCOc4cc3nc1O)c(=O)[nH]n2C1CCOC(C1)(C)C

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Molecular Weight: 498.56
Empirical Formula: C24H26N4O6S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.965
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 151
Number of rings: 6

     

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