COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537335
Chemical Name: methyl5-bromo-3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)cc(cc2)Br

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Molecular Weight: 456.34
Empirical Formula: C22H22BrN3O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 5.601
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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