COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK648845
Chemical Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Smiles: COc1cc2c(cc1OC)CC(C2=O)Sc1n[nH]c(n1)N

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Molecular Weight: 306.35
Empirical Formula: C13H14N4O3S

Physical State: Dry powder
Available Amount: 284 mg

Lipinsky:
logP: 1.737
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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