COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681237
Chemical Name: 2-(1-{[2-(3,4-diethoxyphenyl)ethyl]amino}ethylidene)cyclohexane-1,3-dione
Smiles: CCOc1cc(CCNC(=C2C(=O)CCCC2=O)C)ccc1OCC

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Molecular Weight: 345.44
Empirical Formula: C20H27NO4

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 2.777
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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