COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249969
Chemical Name: 2-(3-methylbutyl)-1-oxo-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide
Smiles: CC(CCn1cc(C(=O)Nc2ccc(cc2)Cn2cncn2)c2c(c1=O)cccc2)C

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Molecular Weight: 415.49
Empirical Formula: C24H25N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.486
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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