General Information of the Compound
Compound ID
CP0571614
Compound Name
2-amino-1-(3-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
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Structure
Formula
C18H15N5O2
Molecular Weight
333.351
Canonical SMILES
Cc1c(O)cccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12
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InChI
InChI=1S/C18H15N5O2/c1-9-12(7-4-8-13(9)24)23-16(19)14(17(20)25)15-18(23)22-11-6-3-2-5-10(11)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
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InChIKey
XFFSYXUNFMLWAI-UHFFFAOYSA-N
Physicochemical Property
logP
2.26882
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
120.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 168288812
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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000449 FU-OV-1 Homo sapiens (Human)  1
1
IC50 > 3000 nM
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   LI
   LO
   TS