COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526449
Chemical Name: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(3,4,5-trimethoxybenzyl)imino]card-20(22)-enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1OC)OC

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Molecular Weight: 583.72
Empirical Formula: C33H45NO8

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.698
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 127
Number of rings: 6

     

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