COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509249
Chemical Name: methyl4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Smiles: CCCCCCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)OC)N(c1c2cccc1)C(=O)C

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Molecular Weight: 492.6
Empirical Formula: C26H28N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.192
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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