COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526422
Chemical Name: 4-[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 591.7
Empirical Formula: C31H45NO10

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.587
Rotatable bonds: 14
H-donors: 5
H-acceptors: 10
PSA: 187
Number of rings: 4

     

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