COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529469
Chemical Name: (13Z)-12-ethyl-13-(hydroxyimino)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: CCC1/C(=N/O)/C2=C(N3C1c1cc(OC)c(cc1CC3)OC)CC(CC2=O)(C)C

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Saltdata: HCl
Molecular Weight: 398.5
Empirical Formula: C23H30N2O4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.516
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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