COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL384193
Chemical Name: 2-(4,5-dimethyl-2-nitrophenyl)-8-(1-phenylethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1cc(C)c(cc1[N+](=O)[O-])C)/C/3=C(\c1ccccc1)/C

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Molecular Weight: 414.46
Empirical Formula: C25H22N2O4

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 4.191
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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