COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552669
Chemical Name: (2E,4E)-3-methyl-4-(quinolin-2-ylmethylidene)pent-2-enedioate
Smiles: [O-]C(=O)/C=C(/C(=C\c1ccc2c(n1)cccc2)/C(=O)[O-])\C

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Saltdata: 2Na+
Molecular Weight: 281.27
Empirical Formula: C16H11NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.366
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 2

     

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