COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003731
Chemical Name: beta-hydroxy-3-nitro-N-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 595.69
Empirical Formula: C32H41N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.181
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 171
Number of rings: 5

     

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