COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK496404
Chemical Name: 1-(2,3-dimethylphenyl)-3-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}thiourea
Smiles: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=S)Nc1cccc(c1C)C

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Saltdata: HCl
Molecular Weight: 418.58
Empirical Formula: C20H26N4O2S2

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 3.242
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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