COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683565
Chemical Name: (3beta,8xi,9xi,14xi,24S)-stigmast-5-en-3-yl3,4,4-trichlorobut-3-enoate
Smiles: CC[C@H](C(C)C)CC[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

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Molecular Weight: 586.12
Empirical Formula: C33H51Cl3O2

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 15.293
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 4

     

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