COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683306
Chemical Name: 2-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(CCNC2=C(C(=O)CCCN3C(=O)c4c(C3=O)cccc4)C(=O)CC(C2)(C)C)ccc1OC

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Molecular Weight: 518.61
Empirical Formula: C30H34N2O6

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.571
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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