COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL425993
Chemical Name: 1-hydroxy-N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]isoquinoline-4-carboxamide
Smiles: CSCCC(c1nc2c(n1C)cccc2)NC(=O)c1cnc(c2c1cccc2)O

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.543
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 4

     

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