COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538439
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)/N=c\1/[nH]nc(s1)C)C)C)C

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Molecular Weight: 489.72
Empirical Formula: C27H43N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.289
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 119
Number of rings: 5

     

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