COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829103
Chemical Name: (2E)-2-[(4-chlorophenyl)sulfonyl]-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)c1cccc(c1C)C)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 415.94
Empirical Formula: C21H22ClN3O2S

Physical State: Dry powder
Available Amount: 443 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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