COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535135
Chemical Name: bis(2-hydroxy-3-{4-[(2Z)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)1,2,2-trimethylcyclopentane-1,3-dicarboxylate
Smiles: OC(CN1CCN(CC1)C/C=C\c1ccccc1)COC(=O)C1CCC(C1(C)C)(C)C(=O)OCC(CN1CCN(CC1)C/C=C\c1ccccc1)O

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Saltdata: 4 HCl
Molecular Weight: 716.96
Empirical Formula: C42H60N4O6

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.571
Rotatable bonds: 14
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 5

     

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