COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597045
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1C)OC(C)C)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 504.61
Empirical Formula: C27H28N4O4S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 3.198
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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