COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886611
Chemical Name: 12-(2-chlorophenyl)-3,9-bis(4-methylphenyl)-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: N#CC12CN(CC(C2c2ccccc2Cl)(C2=NCN(CN2C1=S)c1ccc(cc1)C)C#N)c1ccc(cc1)C

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Molecular Weight: 551.11
Empirical Formula: C31H27ClN6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.481
Rotatable bonds: 1
H-donors: 0
H-acceptors: 0
PSA: 101
Number of rings: 6

     

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