COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538547
Chemical Name: ethyl[(2E)-2-{[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/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)/[nH]1

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Molecular Weight: 576.8
Empirical Formula: C31H48N2O6S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.456
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 153
Number of rings: 5

     

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