COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683084
Chemical Name: (3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide
Smiles: CCNC(=O)C(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C(=O)N1CCCCCC1

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Molecular Weight: 397.52
Empirical Formula: C23H31N3O3

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 2.601
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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