COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543439
Chemical Name: 2-(4-chloro-3-nitrophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1C=CC2C1=C1CCCCC1

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Molecular Weight: 398.85
Empirical Formula: C21H19ClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.22
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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