COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827059
Chemical Name: 3',9'-bis(4-methoxybenzyl)-6'-thioxo-3',4',9',10'-tetrahydro-2'H-spiro[cyclohexane-1,12'-[1,3,5,9]tetraaza[7,11]methano[1,3,5]triazino[1,2-a][1,5]diazocine]-7',11'(6'H,8'H)-dicarbonitrile
Smiles: COc1ccc(cc1)CN1CN=C2N(C1)C(=S)C1(C3(C2(C#N)CN(C1)Cc1ccc(cc1)OC)CCCCC3)C#N

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Molecular Weight: 568.74
Empirical Formula: C32H36N6O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.366
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 120
Number of rings: 6

     

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