General Information of the Compound
Compound ID
CP0483624
Compound Name
2-[3-(6-Amino-purin-9-yl)-cyclopentyloxy]-N-hydroxy-acetamide
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Structure
Formula
C12H16N6O3
Molecular Weight
292.299
Canonical SMILES
Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](C1)OCC(=O)NO
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InChI
InChI=1S/C12H16N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
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InChIKey
ISGFEZKNKFBRJF-YUMQZZPRSA-N
Physicochemical Property
logP
0.0241
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
128.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
21

"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: 9817518
SID: 14775758
ChEMBL ID
CHEMBL306910
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: PT01965, Adenylate cyclase type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10800 nM
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