COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702976
Chemical Name: (2E)-2-cyano-N-(3-methoxypropyl)-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Smiles: COCCCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/C#N

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Molecular Weight: 472.59
Empirical Formula: C28H32N4O3

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 5.14
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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