COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538600
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]cholan-24-amide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)CC[C@H]([C@H]1CC[C@@H]3[C@]1(C)[C@@H](O)C[C@H]1[C@H]3[C@H](O)C[C@H]3[C@]1(C)CC[C@H](C3)O)C)/[nH]2

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Molecular Weight: 570.79
Empirical Formula: C32H46N2O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.795
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 136
Number of rings: 6

     

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