COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527327
Chemical Name: 5-{[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NCCCCC(=O)O)/CC[C@]12C

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Molecular Weight: 534.65
Empirical Formula: C28H42N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.686
Rotatable bonds: 13
H-donors: 5
H-acceptors: 8
PSA: 165
Number of rings: 4

     

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