COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK308869
Chemical Name: 9-tert-butyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: [O-][N+](=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 501.61
Empirical Formula: C26H27N7O2S

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 7.49
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 134
Number of rings: 6

     

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