COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525373
Chemical Name: methyl1-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]prolinate
Smiles: COC(=O)C1CCCN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 498.66
Empirical Formula: C29H42N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.887
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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