COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542811
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)thiourea
Smiles: COc1ccc(c(c1)NC(=S)NN1CCN(CC1)Cc1ccc2c(c1)OCO2)OC

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Molecular Weight: 430.53
Empirical Formula: C21H26N4O4S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 2.493
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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