COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143677
Chemical Name: 2-chloro-5-(3-{(1E)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoicacid
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)/C(=O)NCc1ccc(cc1)OC

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Molecular Weight: 463.92
Empirical Formula: C25H22ClN3O4

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 4.616
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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