COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538324
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,7,12-trihydroxycholan-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]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)ccc1OC

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Molecular Weight: 571.8
Empirical Formula: C34H53NO6

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 3.76
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 108
Number of rings: 5

     

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