COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387297
Chemical Name: 2-({(E)-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: O=C1N(/N=C/c2cn(nc2c2cccs2)c2ccccc2)C(=O)C2C1C1CCC2C=C1

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Molecular Weight: 428.51
Empirical Formula: C24H20N4O2S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.023
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 7

     

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