General Information of the Compound
Compound ID
CP0509073
Compound Name
6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,3-b]indole
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Structure
Formula
C14H9ClN4
Molecular Weight
268.707
Canonical SMILES
Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21
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InChI
InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
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InChIKey
LMOBUEBHMONFLE-UHFFFAOYSA-N
Physicochemical Property
logP
3.5552
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
46.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 127048005
ChEMBL ID
CHEMBL3798249
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
EC50 = 10000 nM
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