COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801993
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxycholan-24-oicacid
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C

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Molecular Weight: 408.58
Empirical Formula: C24H40O5

Physical State: Dry powder
Available Amount: 1465 mg

Lipinsky:
logP: 2.615
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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