COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522047
Chemical Name: 1-{6-[4-(dimethylamino)phenyl]-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(cc1)N(C)C

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Molecular Weight: 421.52
Empirical Formula: C22H23N5O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.198
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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