COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536392
Chemical Name: (3alpha,5beta,7beta,8xi)-3,7-dihydroxy-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)CC[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: 554.79
Empirical Formula: C32H46N2O4S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 6.84
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 116
Number of rings: 6

     

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