COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525297
Chemical Name: {4-[(2E)-(1-{(2S,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}ethylidene)hydrazinylidene]-2,2,6,6-tetramethylpiperidin-1-
Smiles: COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4CC(N)[C@H](C(O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/N=C1CC(C)(C)N(C(C1)(C)C)[O])/C

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Saltdata: HCl
Molecular Weight: 693.77
Empirical Formula: C36H45N4O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 6
H-acceptors: 10
PSA: 196
Number of rings: 6

     

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