COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683564
Chemical Name: (3beta,8xi,9xi,14xi)-cholest-5-en-3-yl3,4,4-trichlorobut-3-enoate
Smiles: CC(CCC[C@H]([C@H]1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CC(=C(Cl)Cl)Cl)C)C

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Molecular Weight: 558.07
Empirical Formula: C31H47Cl3O2

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 14.415
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 4

     

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