COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002419
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate
Smiles: COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)OC

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Molecular Weight: 549.66
Empirical Formula: C29H43NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.334
Rotatable bonds: 12
H-donors: 3
H-acceptors: 9
PSA: 148
Number of rings: 4

     

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