COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590455
Chemical Name: 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)[N+](=O)[O-]

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Molecular Weight: 412.45
Empirical Formula: C21H24N4O5

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 3.95
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 5

     

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