COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK377975
Chemical Name: ethyl2-[(3beta,8xi,9xi,14xi)-cholest-4-en-3-yloxy]-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)O[C@H]1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C

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Molecular Weight: 709.95
Empirical Formula: C39H58F3NO5S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 16.766
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 90
Number of rings: 5

     

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