COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040192
Chemical Name: 6-{[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]carbonyl}cyclohex-3-ene-1-carboxylate
Smiles: [O-]C(=O)C1CC=CCC1C(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

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Molecular Weight: 456.54
Empirical Formula: C27H28N4O3

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.904
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 5

     

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