COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682217
Chemical Name: 2-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}butylidene)-5-phenylcyclohexane-1,3-dione
Smiles: CCC/C(=C/1\C(=O)CC(CC1=O)c1ccccc1)/NCCc1c(C)[nH]c2c1cccc2

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Molecular Weight: 414.55
Empirical Formula: C27H30N2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.186
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 61
Number of rings: 4

     

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