COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527393
Chemical Name: (8xi,14xi,17alpha,19E)-19-{[2-(cyclohex-1-en-1-yl)ethyl]imino}-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCC1=CCCCC1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

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Molecular Weight: 641.85
Empirical Formula: C37H55NO8

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.157
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 138
Number of rings: 7

     

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