COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320950
Chemical Name: (2Z)-1-(azepan-1-yl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: O=C(N1CCCCCC1)/C=C/1\NC(C)(C)Cc2c1cccc2

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Saltdata: HCl
Molecular Weight: 298.43
Empirical Formula: C19H26N2O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.872
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 32
Number of rings: 3

     

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