General Information of the Compound
Compound ID
CP0563728
Compound Name
4-(7-fluoro-1H-pyrazolo[4,3-b]indol-4-yl)-N-(2-hydroxyethyl)benzamide
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Structure
Formula
C18H15FN4O2
Molecular Weight
338.342
Canonical SMILES
OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
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InChI
InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
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InChIKey
RZXSROGFHJQWNH-UHFFFAOYSA-N
Physicochemical Property
logP
2.368
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
82.94
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 73426735
ChEMBL ID
CHEMBL3797259
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 = 1995.26 nM
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