COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK330311
Chemical Name: 3-({[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl}amino)-N-[(4Z)-4-{[4-(ethyl{2-[(methylsulfonyl)amino]ethyl}amino)-2-methylphenyl]imino}-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benza
Smiles: CCC(c1cc(ccc1OCC(=O)Nc1cccc(c1)C(=O)NC1=NN(C(=O)/C/1=N\c1ccc(cc1C)N(CCNS(=O)(=O)C)CC)c1c(Cl)cc(cc1Cl)Cl)C(CC)(C)C)(C)C

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Molecular Weight: 939.4
Empirical Formula: C46H54Cl3N7O6S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 10.152
Rotatable bonds: 12
H-donors: 3
H-acceptors: 6
PSA: 170
Number of rings: 5

     

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