COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK954172
Chemical Name: 2-{4-[4-(diphenylmethyl)piperazin-1-yl]but-2-yn-1-yl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CC#CCN2CCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2c1cccc2

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Saltdata: 2HCl
Molecular Weight: 449.55
Empirical Formula: C29H27N3O2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.68
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 5

     

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