COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK651336
Chemical Name: N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

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Molecular Weight: 533.38
Empirical Formula: C26H21BrN4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.364
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 105
Number of rings: 5

     

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