COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531013
Chemical Name: N-[({[(3E,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 488.62
Empirical Formula: C27H40N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.777
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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