COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538497
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-N-[(2Z)-4,5,6,7-tetrahydro-1,3-benzothiazol-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\sc2c([nH]1)CCCC2)C)C)C

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Molecular Weight: 528.8
Empirical Formula: C31H48N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.061
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 107
Number of rings: 6

     

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