COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK230360
Chemical Name: 4-chloro-N-[(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 455.97
Empirical Formula: C22H22ClN5O2S

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 3.815
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 105
Number of rings: 4

     

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