COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK710080
Chemical Name: 4,5,6,7-tetrachloro-8,8-dimethoxy-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: COC1(OC)C2(Cl)C3C(C1(Cl)C(=C2Cl)Cl)C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 482.1
Empirical Formula: C17H12Cl4N2O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.758
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 4

     

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