COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565360
Chemical Name: 5-tert-butyl1-[(6alpha,8xi,9xi,14xi)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl]N-(tert-butoxycarbonyl)glutamate
Smiles: O=C(OC(C)(C)C)NC(C(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2C[C@@H](C2=CC(=O)C=C[C@]12C)C)CCC(=O)OC(C)(C)C

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Molecular Weight: 659.82
Empirical Formula: C36H53NO10

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 6.436
Rotatable bonds: 12
H-donors: 3
H-acceptors: 10
PSA: 165
Number of rings: 4

     

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