COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK976727
Chemical Name: methyl(3alpha,5beta,8xi,12alpha,14xi,17xi,20xi)-3-hydroxy-12-methoxychol-9(11)-en-24-oate
Smiles: CO[C@H]1C=C2C(C3[C@@]1(C)C(CC3)C(CCC(=O)OC)C)CC[C@H]1[C@]2(C)CC[C@H](C1)O

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Molecular Weight: 418.62
Empirical Formula: C26H42O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.355
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 55
Number of rings: 4

     

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