General Information of the Compound
Compound ID
CP0909770
Compound Name
5-(N-2-azidoacetyl)-2,3,5-trideoxy-D-glycero-D-galacto-2-nonulopyranosonic acid
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Structure
Formula
C10H14N4O8
Molecular Weight
318.242
Canonical SMILES
[N-]=[N+]=NC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O
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InChI
InChI=1S/C10H14N4O8/c11-14-13-10(21)12-6-3(16)1-5(9(19)20)22-8(6)7(18)4(17)2-15/h1,3-4,6-8,15-18H,2H2,(H,12,21)(H,19,20)/t3-,4+,6+,7+,8+/m0/s1
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InChIKey
BYWXTMONYJZRFH-LRGKAINGSA-N
Physicochemical Property
logP
-2.1828
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
205.31
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
7
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155532746
ChEMBL ID
CHEMBL4467946
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03201, Sialidase-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 24000 nM
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