COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620817
Chemical Name: (4E)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylidene]-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)c2c(/C/1=C\NCC1(CCCCC1)N(C)C)cccc2

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Molecular Weight: 403.52
Empirical Formula: C25H29N3O2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.338
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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