COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827066
Chemical Name: 3,9-bis(2,4-dimethoxyphenyl)-12-(2-methoxyphenyl)-6-thioxo-3,4,9,10-tetrahydro-2H-7,11-methano[1,3,5]triazino[1,2-a][1,5]diazocine-7,11(6H,8H)-dicarbonitrile
Smiles: COc1ccc(c(c1)OC)N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccc(cc1OC)OC)c1ccccc1OC)C#N

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Molecular Weight: 638.75
Empirical Formula: C34H34N6O5S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.283
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 147
Number of rings: 6

     

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