COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829102
Chemical Name: (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 445.93
Empirical Formula: C21H20ClN3O4S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 3.187
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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