COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183153
Chemical Name: 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoicacid
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)/C(=O)Nc1cccc(c1)Br

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Molecular Weight: 498.76
Empirical Formula: C23H17BrClN3O3

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 6.194
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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