COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL036648
Chemical Name: 9-(aminomethyl)-4-hydroxy-6-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
Smiles: NCc1c2CCN(C(=O)c2c(c2c1OCO2)O)C

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Saltdata: HCl
Molecular Weight: 250.256
Empirical Formula: C12H14N2O4

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: -0.792
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 85
Number of rings: 3

     

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