COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK935004
Chemical Name: [5-(cyanomethoxy)-1H-indol-3-yl]{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}aceticacid
Smiles: CN(C(=O)CN1CCN(CC1)C(c1c[nH]c2c1cc(OCC#N)cc2)C(=O)O)C

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Molecular Weight: 399.45
Empirical Formula: C20H25N5O4

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 0.158
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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