COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455791
Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide
Smiles: COc1cc(ccc1NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-]

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Molecular Weight: 430.48
Empirical Formula: C20H22N4O5S

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 2.99
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 4

     

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