COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827500
Chemical Name: 3-(3-chloro-2-methylphenyl)-8-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: CCOc1cc(ccc1O)C1CC(=O)N2C(=C1C#N)SCN(C2)c1cccc(c1C)Cl

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Molecular Weight: 455.96
Empirical Formula: C23H22ClN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.637
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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