COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261294
Chemical Name: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccncc1

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Molecular Weight: 391.5
Empirical Formula: C21H21N5OS

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 4.023
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 89
Number of rings: 4

     

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