COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438064
Chemical Name: 2-[1-({2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}amino)ethylidene]-1H-indene-1,3(2H)-dione
Smiles: O=C1C=C(Nc2ccccc2N/C(=C/2\C(=O)c3c(C2=O)cccc3)/C)CC(C1)(C)C

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Molecular Weight: 400.48
Empirical Formula: C25H24N2O3

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 75
Number of rings: 4

     

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