COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509236
Chemical Name: 2-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methoxy-6-nitrophenylacetate
Smiles: CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)[N+](=O)[O-]

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Molecular Weight: 567.62
Empirical Formula: C27H29N5O7S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.774
Rotatable bonds: 10
H-donors: 0
H-acceptors: 7
PSA: 174
Number of rings: 4

     

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