COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572942
Chemical Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1cc(C)c(cc1[N+](=O)[O-])C)CN1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 411.46
Empirical Formula: C22H25N3O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.35
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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