COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408247
Chemical Name: 7-hydroxy-4-(6-hydroxy[1,3]dioxolo[4,5-g]quinolin-7-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1cc3cc4OCOc4cc3nc1O)c(=O)[nH]n2C1CCSCC1

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Molecular Weight: 472.55
Empirical Formula: C21H20N4O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.882
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 167
Number of rings: 6

     

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