COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538556
Chemical Name: (3alpha,5beta,12alpha)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,12-dihydroxycholan-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)NCCc1c[nH]c2c1cc(Cl)cc2)C)C)C

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Molecular Weight: 569.23
Empirical Formula: C34H49ClN2O3

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 6.777
Rotatable bonds: 7
H-donors: 4
H-acceptors: 3
PSA: 85
Number of rings: 6

     

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