COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574504
Chemical Name: N-(5-chloro-2-cyanophenyl)-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: N#Cc1ccc(cc1NC(=O)CN1CCc2c(C1C)cc1c(c2)OCCCO1)Cl

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Molecular Weight: 411.89
Empirical Formula: C22H22ClN3O3

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.16
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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