COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521960
Chemical Name: 1-{6-[3-(cyclopentyloxy)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)c1cccc(c1)OC1CCCC1

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Molecular Weight: 462.57
Empirical Formula: C25H26N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.5
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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