COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387661
Chemical Name: 2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1/N=C/c1ccc(s1)[N+](=O)[O-])C3

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Molecular Weight: 317.33
Empirical Formula: C14H11N3O4S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 1.005
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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