COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073496
Chemical Name: (3-chlorophenyl)[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)c2cccc(c2)Cl)ccc1OC

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Molecular Weight: 525
Empirical Formula: C27H29ClN4O5

Physical State: Dry powder
Available Amount: 560 mg

Lipinsky:
logP: 5.553
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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