COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455736
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide
Smiles: COc1ccc(cc1OC)CCNC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 430.53
Empirical Formula: C21H26N4O4S

Physical State: Dry powder
Available Amount: 524 mg

Lipinsky:
logP: 3.238
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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