COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591082
Chemical Name: N-(3-methoxyphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: COc1cccc(c1)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 370.47
Empirical Formula: C20H22N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.246
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 75
Number of rings: 4

     

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