COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521016
Chemical Name: 4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoicacid
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)C(=O)O

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 3.765
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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