General Information of the Compound
Compound ID
CP0509071
Compound Name
4-(7-fluoro-1H-pyrazolo[4,3-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide
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Structure
Formula
C19H17FN4O2
Molecular Weight
352.369
Canonical SMILES
Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO
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InChI
InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
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InChIKey
OTERKSQZXOAQLU-UHFFFAOYSA-N
Physicochemical Property
logP
2.67642
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
82.94
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 73426736
ChEMBL ID
CHEMBL3799090
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 = 19.95 nM
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