COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538478
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[1-(2-methoxyethyl)-1H-indol-4-yl]cholan-24-amide
Smiles: COCCn1ccc2c1cccc2NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 580.81
Empirical Formula: C35H52N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.16
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 103
Number of rings: 6

     

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