General Information of the Compound
Compound ID
CP0575470
Compound Name
N-ethyl-5-[6-(1-ethylpyrazol-4-yl)-5-[(3S)-oxolan-3-yl]oxypyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide
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Structure
Formula
C23H25N7O3
Molecular Weight
447.499
Canonical SMILES
CCNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(CC)c3)c(O[C@H]3CCOC3)nc12
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InChI
InChI=1S/C23H25N7O3/c1-3-25-22(31)16-7-15(8-24-9-16)19-11-27-30-13-20(17-10-26-29(4-2)12-17)23(28-21(19)30)33-18-5-6-32-14-18/h7-13,18H,3-6,14H2,1-2H3,(H,25,31)/t18-/m0/s1
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InChIKey
CCVQDAVSKDENJO-SFHVURJKSA-N
Physicochemical Property
logP
2.5921
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
108.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
33

"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: 168270819
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: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.6 nM
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Protein ID: PT06924, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS