COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055237
Chemical Name: [4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-yl][4-(dimethylamino)-2-methoxy-5-nitrophenyl]methanone
Smiles: COc1cc(N(C)C)c(cc1C(=O)N1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl)[N+](=O)[O-]

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Molecular Weight: 477.9
Empirical Formula: C21H24ClN5O6

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 4.652
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 127
Number of rings: 3

     

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