COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008206
Chemical Name: propan-2-yl2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C)C

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Molecular Weight: 442.47
Empirical Formula: C23H26N2O7

Physical State: Dry powder
Available Amount: 468 mg

Lipinsky:
logP: 3.556
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 4

     

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