COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143408
Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
Smiles: COc1ccc(c(c1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)OC

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Molecular Weight: 415.51
Empirical Formula: C21H25N3O4S

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 2.537
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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