General Information of the Compound
Compound ID
CP0407908
Compound Name
7-fluoro-4-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]indole
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Structure
Formula
C16H11FN6
Molecular Weight
306.304
Canonical SMILES
Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12
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InChI
InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)
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InChIKey
RRCNPYRCOUOTDZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.22562
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
75.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 73425712
ChEMBL ID
CHEMBL3797780
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 = 251.19 nM
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