COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079737
Chemical Name: (2E)-3-[4-({4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]piperazin-1-yl}sulfonyl)phenyl]prop-2-enoicacid
Smiles: OC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CCN1C(=O)C2C(C1=O)C1CC2C=C1

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Molecular Weight: 485.56
Empirical Formula: C24H27N3O6S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 2.096
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 123
Number of rings: 5

     

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