COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886610
Chemical Name: 3,9-bis(3-chloro-2-methylphenyl)-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: COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)c1cccc(c1C)Cl)c1cccc(c1C)Cl

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Molecular Weight: 615.59
Empirical Formula: C32H28Cl2N6OS

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 5.711
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 110
Number of rings: 6

     

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