COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002207
Chemical Name: ethylN-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 578.75
Empirical Formula: C34H46N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.198
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 114
Number of rings: 5

     

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