COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958026
Chemical Name: 2-amino-4-(3-butoxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: CCCCOc1cc(ccc1OC)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 396.49
Empirical Formula: C23H28N2O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.712
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 94
Number of rings: 3

     

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