COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511037
Chemical Name: (19E)-19-[(cyanomethyl)imino]-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Smiles: N#CC/N=C/C12CCC(CC2(O)CCC2C1CCC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O

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Molecular Weight: 572.7
Empirical Formula: C31H44N2O8

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.289
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 161
Number of rings: 6

     

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