General Information of the Compound
Compound ID
CP0508557
Compound Name
2-{[2-(6-Amino-purin-9-yl)-ethyl]-methyl-amino}-N-hydroxy-acetamide
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Structure
Formula
C10H15N7O2
Molecular Weight
265.277
Canonical SMILES
CN(CCn1cnc2c(N)ncnc12)CC(=O)NO
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InChI
InChI=1S/C10H15N7O2/c1-16(4-7(18)15-19)2-3-17-6-14-8-9(11)12-5-13-10(8)17/h5-6,19H,2-4H2,1H3,(H,15,18)(H2,11,12,13)
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InChIKey
VCRGVHWFOOXXIF-UHFFFAOYSA-N
Physicochemical Property
logP
-1.1543
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
122.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
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: 44335278
ChEMBL ID
CHEMBL105492
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 = 15300 nM
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