COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320910
Chemical Name: 2-(2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(CCN2CCN(CC2)C/C=C/c2ccccc2)c(=O)c2c3c1cccc3ccc2

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Saltdata: 2 HCl
Molecular Weight: 425.53
Empirical Formula: C27H27N3O2

Available Amount: 0 mg

Lipinsky:
logP: 2.894
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 5

     

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