COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581709
Chemical Name: (2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 482.6
Empirical Formula: C26H30N2O5S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.848
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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