COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524614
Chemical Name: N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)C

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Molecular Weight: 571.76
Empirical Formula: C32H49N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.012
Rotatable bonds: 12
H-donors: 3
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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