COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829099
Chemical Name: (2E)-3-(4-benzylpiperazin-1-yl)-2-[(4-methoxyphenyl)sulfonyl]prop-2-enenitrile
Smiles: COc1ccc(cc1)S(=O)(=O)/C(=C/N1CCN(CC1)Cc1ccccc1)/C#N

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Molecular Weight: 397.5
Empirical Formula: C21H23N3O3S

Physical State: Dry powder
Available Amount: 385 mg

Lipinsky:
logP: 2.986
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 82
Number of rings: 3

     

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