COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827071
Chemical Name: 12-(2-chlorophenyl)-3,9-bis(furan-2-ylmethyl)-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(Cc3ccco3)CC(C2c2ccccc2Cl)(C2=NCN(CN2C1=S)Cc1ccco1)C#N

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Molecular Weight: 531.04
Empirical Formula: C27H23ClN6O2S

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.062
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 6

     

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