COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536579
Chemical Name: ethyl(2Z)-2-{[(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-24-oxocholan-24-yl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3[C@@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)/[nH]c1C

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Molecular Weight: 560.8
Empirical Formula: C31H48N2O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 6.107
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 133
Number of rings: 5

     

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