COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521097
Chemical Name: 1-[6-(2,4-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1Cl)Cl

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Molecular Weight: 447.34
Empirical Formula: C20H16Cl2N4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.292
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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