COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003390
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1=CCCCC1

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Molecular Weight: 553.74
Empirical Formula: C33H47NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.791
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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