COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001868
Chemical Name: [4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](2-methoxyphenyl)methanone
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2ccccc2OC)ccc1OC

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Molecular Weight: 520.59
Empirical Formula: C28H32N4O6

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 5.032
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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