COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763863
Chemical Name: methyl(3alpha,12alpha)-12-hydroxy-3-[(phenylcarbonyl)oxy]cholan-24-oate
Smiles: COC(=O)CCC(C1CCC2C1(C)[C@@H](O)CC1C2CCC2C1(C)CC[C@H](C2)OC(=O)c1ccccc1)C

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Molecular Weight: 510.71
Empirical Formula: C32H46O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 8.037
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 5

     

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