COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834328
Chemical Name: ethyl4-{[(2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C#N

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Molecular Weight: 389.45
Empirical Formula: C23H23N3O3

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 4.144
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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