COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521568
Chemical Name: 2-[3-(butylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenylpropanoate
Smiles: CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc(Cl)cc(c1OC(=O)CC)OC

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Molecular Weight: 557.07
Empirical Formula: C27H29ClN4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.063
Rotatable bonds: 10
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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