COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526086
Chemical Name: (8xi,14xi,17xi,19E)-19-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COc1cc(CC/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC

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Molecular Weight: 567.72
Empirical Formula: C33H45NO7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.412
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 117
Number of rings: 6

     

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