COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580779
Chemical Name: N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(CN1CCc2c(C1)cc1c(c2)OCCCO1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

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Molecular Weight: 471.58
Empirical Formula: C24H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.785
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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