COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529090
Chemical Name: methyl3-nitro-N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)C)C

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Molecular Weight: 657.72
Empirical Formula: C33H43N3O11

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.282
Rotatable bonds: 13
H-donors: 5
H-acceptors: 11
PSA: 220
Number of rings: 5

     

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