COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524597
Chemical Name: (3alpha,8xi,17xi,20xi)-7-oxocholest-5-en-3-ylacetate
Smiles: CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2C(=O)C=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C

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Molecular Weight: 442.68
Empirical Formula: C29H46O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.429
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 4

     

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