COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK805017
Chemical Name: 2-(4-chlorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: CC1(C)C2(CN3CC1(CN(C2)[C@@H]3c1ccc(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 366.8
Empirical Formula: C16H19ClN4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.043
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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