COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149646
Chemical Name: dimethyl5-{[1-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)ethyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(N/C(=C/2\C(=O)c3c(C2=O)cccc3)/C)cc(c1)C(=O)OC

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Molecular Weight: 379.37
Empirical Formula: C21H17NO6

Physical State: Dry powder
Available Amount: 488 mg

Lipinsky:
logP: 4.325
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 98
Number of rings: 3

     

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