COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK930476
Chemical Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)Nc1ccc(cc1)Cn1ncnc1

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Molecular Weight: 481.51
Empirical Formula: C27H23N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.787
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 6

     

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