COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593138
Chemical Name: 1,3-dimethyl-5-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1n(C)cc(c(=O)n1C)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 407.45
Empirical Formula: C18H21N3O6S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 1.272
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 104
Number of rings: 4

     

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