COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576825
Chemical Name: ethyl4-[3-(3-cyano-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinolin-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

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Molecular Weight: 534.61
Empirical Formula: C32H30N4O4

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 6.018
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 6

     

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