COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756305
Chemical Name: ethyl2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 505.53
Empirical Formula: C27H27N3O7

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.532
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 5

     

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