COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK496311
Chemical Name: 1-[4-(butan-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}thiourea
Smiles: CCC(c1ccc(cc1)NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)C

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Saltdata: HCl
Molecular Weight: 446.64
Empirical Formula: C22H30N4O2S2

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 4.192
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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