COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082400
Chemical Name: methyl4-({[4-(cyanomethyl)piperazin-1-yl]acetyl}amino)benzoateethanedioate
Smiles: OC(=O)C(=O)O.COC(=O)c1ccc(cc1)NC(=O)CN1CCN(CC1)CC#N

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Saltdata: C2H2O4
Molecular Weight: 406.4
Empirical Formula: C18H22N4O7

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 160
Number of rings: 2

     

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