COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683563
Chemical Name: (3beta,8xi,9xi,14xi,22E,24xi)-stigmasta-5,22-dien-3-yl3,4,4-trichlorobut-3-enoate
Smiles: CCC(C(C)C)/C=C/[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: 584.11
Empirical Formula: C33H49Cl3O2

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 14.775
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 4

     

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