COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148622
Chemical Name: (4-bromophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2ccc(cc2)Br)ccc1OC

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Molecular Weight: 569.46
Empirical Formula: C27H29BrN4O5

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 5.697
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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