COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK802011
Chemical Name: (8xi,11beta,14xi,16alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylfuran-2-carboxylate
Smiles: ClCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)Cl

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Saltdata: Furoate
Molecular Weight: 521.44
Empirical Formula: C27H30Cl2O6

Physical State: Dry powder
Available Amount: 1006 mg

Lipinsky:
logP: 4.267
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 93
Number of rings: 5

     

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