General Information of the Compound
Compound ID
CP0051898
Compound Name
EN300-21473
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Synonyms
Guanine
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Structure
Formula
C5H5N5O
Molecular Weight
151.129
Canonical SMILES
Nc1nc2[nH]cnc2c(=O)[nH]1
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InChI
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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InChIKey
UYTPUPDQBNUYGX-UHFFFAOYSA-N
CAS
73-40-5
Physicochemical Property
logP
-0.7716
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
100.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
11

"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: 135398634
SID: 16020045
ChEMBL ID
CHEMBL219568
DrugBank ID
DB02377
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: PT03602, Shiga toxin subunit A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000057 Vero Chlorocebus sabaeus (Green monkey)  1
1
IC50 = 11500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Guanine )
Drug Name Guanine