COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525327
Chemical Name: 1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]proline
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N3CCCC3C(=O)O)/CC[C@]12C

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Molecular Weight: 482.62
Empirical Formula: C28H38N2O5

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.251
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 99
Number of rings: 5

     

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