COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521149
Chemical Name: 4-[7-acetyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoicacid
Smiles: C=CCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)O)N(c1c2cccc1)C(=O)C

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Molecular Weight: 434.48
Empirical Formula: C22H18N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.062
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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