COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536616
Chemical Name: (3alpha,5beta,7beta,8xi)-N-[(2E)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-3,7-dihydroxycholan-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]c(c(s1)C)C)C)C)O)C

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Molecular Weight: 502.76
Empirical Formula: C29H46N2O3S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 6.622
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 107
Number of rings: 5

     

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