COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK760532
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(c(c1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc2c(c1)OCO2)N)OC

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Molecular Weight: 473.53
Empirical Formula: C27H27N3O5

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.297
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 5

     

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