COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703469
Chemical Name: (2E)-2-[(4-chlorophenyl)sulfonyl]-3-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 546.09
Empirical Formula: C30H28ClN3O3S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 8.114
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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