COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007366
Chemical Name: beta-hydroxy-N-{6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}-3-nitrophenylalanine
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O

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Molecular Weight: 767.87
Empirical Formula: C40H53N3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.563
Rotatable bonds: 18
H-donors: 5
H-acceptors: 12
PSA: 242
Number of rings: 5

     

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