General Information of the Compound
Compound ID
CP0854266
Compound Name
1-[2'-Amino-2'-deoxy-5',6'-dideoxy-6'-(dihydroxyphosphinyl)-beta-D-ribo-hexofuranosyl]uracil ammonium salt
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Structure
Formula
C10H22N5O7P
Molecular Weight
355.288
Canonical SMILES
N.N.N[C@@H]1[C@H](O)[C@@H](CCP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C10H16N3O7P.2H3N/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16;;/h1,3,5,7-9,15H,2,4,11H2,(H,12,14,16)(H2,17,18,19);2*1H3/t5-,7-,8-,9-;;/m1../s1
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InChIKey
FYTWZYSXLCUKFG-BAZBJWKESA-N
Physicochemical Property
logP
-1.986
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
237.87
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
9
Complexity
23

"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: 145948330
ChEMBL ID
CHEMBL1957446
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: PT04714, P2Y purinoceptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS