COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538475
Chemical Name: methyl(2E)-5-(propan-2-yl)-2-{[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N\C(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)/sc1C(C)C

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Molecular Weight: 590.82
Empirical Formula: C32H50N2O6S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.41
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 153
Number of rings: 5

     

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