COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002138
Chemical Name: 4-{[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoicacid
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O

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Molecular Weight: 548.72
Empirical Formula: C33H44N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.237
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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