COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536453
Chemical Name: (3alpha,5beta,7beta,8xi)-3,7-dihydroxy-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)/N=c\1/[nH]nc(s1)C(C)C)C)C)O)C

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Molecular Weight: 517.78
Empirical Formula: C29H47N3O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.167
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 119
Number of rings: 5

     

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