COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527474
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glutamicacid
Smiles: O=C(NC(C(=O)O)CCC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 532.63
Empirical Formula: C28H40N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.942
Rotatable bonds: 11
H-donors: 4
H-acceptors: 8
PSA: 162
Number of rings: 4

     

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