COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520948
Chemical Name: 1-{6-[4-(dimethylamino)phenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Smiles: C=CCSc1nnc2c(n1)OC(c1ccc(cc1)N(C)C)N(c1c2cccc1)C(=O)C

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Molecular Weight: 433.53
Empirical Formula: C23H23N5O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.495
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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