COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538470
Chemical Name: (3alpha,5beta,12alpha)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,12-dihydroxycholan-24-amide
Smiles: COc1cc(CCNC(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3CC[C@H]3[C@]2(C)CC[C@H](C3)O)C)ccc1OC

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Molecular Weight: 555.8
Empirical Formula: C34H53NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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