COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK751327
Chemical Name: 2-[2-(cyclohex-1-en-1-yl)ethyl]-3a-methyl-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCC2=CCCCC2)C(=O)C2(C1C(C=CC2c1ccccc1)c1ccccc1)C

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Molecular Weight: 425.57
Empirical Formula: C29H31NO2

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 7.229
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 37
Number of rings: 5

     

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