General Information of the Compound
Compound ID
CP0302914
Compound Name
(1R,2S,3R)-3-(4-amino-6,7-difluoroimidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol
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Structure
Formula
C11H12F2N4O2
Molecular Weight
270.239
Canonical SMILES
Nc1nc(F)c(F)c2n(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O
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InChI
InChI=1S/C11H12F2N4O2/c12-6-8-7(11(14)16-10(6)13)15-3-17(8)4-1-2-5(18)9(4)19/h3-5,9,18-19H,1-2H2,(H2,14,16)/t4-,5-,9+/m1/s1
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InChIKey
GYVPBNZLZTYYQP-OJFKHTATSA-N
Physicochemical Property
logP
0.3484
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
97.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 45111030
SID: 92299936
ChEMBL ID
CHEMBL3290660
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: PT01324, Adenosylhomocysteinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 189 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3644 nM