COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK230456
Chemical Name: N-[(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: O=C(N1CCc2c(C1)cccc2)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 465.53
Empirical Formula: C23H23N5O4S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 2.462
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 5

     

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