COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445135
Chemical Name: 3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: Cc1nn(c(c1C1Oc2nc(SCc3ccccc3)nnc2c2c(N1)cccc2)Cl)c1ccccc1

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Molecular Weight: 513.02
Empirical Formula: C27H21ClN6OS

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 5.984
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 103
Number of rings: 6

     

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