COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526860
Chemical Name: 4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(c3ccccc3)CC(=O)O)/CC[C@]12C

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Molecular Weight: 546.71
Empirical Formula: C33H42N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.064
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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