General Information of the Compound
Compound ID
CP0911315
Compound Name
6'-amino-1-methyl-2-oxo-2',7'-dihydrospiro[indoline-3,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
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Formula
C15H12N6O
Molecular Weight
292.302
Canonical SMILES
CN1C(=O)C2(C(C#N)=C(N)Nc3n[nH]cc32)c2ccccc21
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InChI
InChI=1S/C15H12N6O/c1-21-11-5-3-2-4-8(11)15(14(21)22)9(6-16)12(17)19-13-10(15)7-18-20-13/h2-5,7H,17H2,1H3,(H2,18,19,20)
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InChIKey
VWKSBJCDAPPMPR-UHFFFAOYSA-N
Physicochemical Property
logP
0.79158
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
110.83
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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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ChEMBL ID
CHEMBL4797703
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 690 nM
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