COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372853
Chemical Name: 3,7,12-trihydroxycholan-24-oate
Smiles: OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)[O-])C)C)O)C

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Saltdata: Na+
Molecular Weight: 407.57
Empirical Formula: C24H39O5

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 2.615
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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