COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280896
Chemical Name: 2-({(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3CCC(C2C(=O)N1/N=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])C=C3

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Molecular Weight: 425.83
Empirical Formula: C21H16ClN3O5

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 2.686
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 6

     

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