COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL519875
Chemical Name: 4-methoxy-6-methyl-9-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCCN(CC1)c1ncccn1

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Molecular Weight: 461.54
Empirical Formula: C21H27N5O5S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.071
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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