COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564994
Chemical Name: (5alpha,8xi,9xi,14alpha,17alpha)-12,14-dihydroxy-3-[(pyridin-3-ylcarbonyl)oxy]card-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CC[C@@]2([C@]1(C)C(O)CC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)c1cccnc1)O

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Molecular Weight: 495.62
Empirical Formula: C29H37NO6

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 2.806
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 105
Number of rings: 6

     

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