COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK189828
Chemical Name: 1-{(E)-[(1,3-benzodioxol-5-ylmethyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-ethylthiourea
Smiles: CCNC(=S)/N=C(/Nc1nc(C)cc(n1)C)\NCc1ccc2c(c1)OCO2

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Molecular Weight: 386.48
Empirical Formula: C18H22N6O2S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.677
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 124
Number of rings: 3

     

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