COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529352
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxamide
Smiles: COc1cc(CCNC(=O)c2ccc3c4c2cccc4c(=O)n(c3=O)c2ccccc2OC)ccc1OC

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Saltdata: 0,75 CH3COOH
Molecular Weight: 510.55
Empirical Formula: C30H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.246
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 5

     

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