COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079739
Chemical Name: 2-[2-(4-{[(E)-2-phenylethenyl]sulfonyl}piperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1CCN1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)C3

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Molecular Weight: 441.55
Empirical Formula: C23H27N3O4S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 1.801
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 5

     

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