COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091968
Chemical Name: [4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-methylphenyl)methanone
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2ccc(cc2)C)ccc1OC

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Molecular Weight: 504.59
Empirical Formula: C28H32N4O5

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 5.217
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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