COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072125
Chemical Name: 4-[(4-chloro-2-{(1E)-2-cyano-3-[(2,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1C)C

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Molecular Weight: 460.92
Empirical Formula: C26H21ClN2O4

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 6.338
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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