COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980240
Chemical Name: 1-{6-[3-(cyclopentyloxy)phenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: C=CCSc1nnc2c(n1)OC(c1cccc(c1)OC1CCCC1)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 488.61
Empirical Formula: C27H28N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.327
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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