COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL090395
Chemical Name: 1-[9-(3-chlorophenyl)-1,7-dioxo-1,2,7,8,9,10-hexahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1nc2ncc3c(c2c(=O)[nH]1)CC(CC3=O)c1cccc(c1)Cl

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Molecular Weight: 451.91
Empirical Formula: C23H22ClN5O3

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 0.766
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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