COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699681
Chemical Name: (2E)-2-[(3-nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C(/C12CN3CN(C2)CN(C1)C3)\c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 361.43
Empirical Formula: C15H19N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.101
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 138
Number of rings: 5

     

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