COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019465
Chemical Name: 2-(2,3-dimethylcyclohexyl)-3-[(4-nitrophenyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: CC1CCCC(C1C)N1C(Nc2ccc(cc2)[N+](=O)[O-])C2=C(C1=O)CCCC2

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Molecular Weight: 383.49
Empirical Formula: C22H29N3O3

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 5.026
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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