COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK652320
Chemical Name: 2-{[5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Smiles: C=CCn1c(nnc1c1ccc(cc1)Br)SC1Cc2c(C1=O)cc(c(c2)OC)OC

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Molecular Weight: 486.39
Empirical Formula: C22H20BrN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.33
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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