COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148625
Chemical Name: 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-N,N-dimethylpiperazine-1-sulfonamide
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)N(C)C)ccc1OC

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Molecular Weight: 493.58
Empirical Formula: C22H31N5O6S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 2.881
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 128
Number of rings: 3

     

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