COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551370
Chemical Name: (3beta)-N-(3,4-dimethoxy-5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)-3-hydroxychol-5-en-24-amide
Smiles: COc1c(OC)ccc2c1c(=O)n(NC(=O)CC[C@H]([C@H]1CC[C@@H]3[C@]1(C)CC[C@H]1[C@H]3CC=C3[C@]1(C)CC[C@@H](C3)O)C)c1c2C(=O)c2c1cccc2

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Molecular Weight: 678.87
Empirical Formula: C42H50N2O6

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 8.373
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 105
Number of rings: 8

     

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