COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702709
Chemical Name: (2E)-2-cyano-3-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)/C(=O)NCC1CCCO1

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Molecular Weight: 498.63
Empirical Formula: C30H34N4O3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.38
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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