COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207385
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C(/NCCc2c[nH]cn2)\C)/C(=O)C1

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Molecular Weight: 383.45
Empirical Formula: C21H25N3O4

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 1.097
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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