General Information of the Compound
Compound ID
CP0523442
Compound Name
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
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Structure
Formula
C27H34N6O3
Molecular Weight
490.608
Canonical SMILES
CCN1CCC(CC1)c1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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InChI
InChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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InChIKey
FVXFEJBGHYVGML-UHFFFAOYSA-N
Physicochemical Property
logP
5.4627
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
112.39
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 54761337
SID: 131525440
ChEMBL ID
CHEMBL2203426
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: PT02032, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000124 NFS-60 Mus musculus (Mouse)  1
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 3.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 1.5 nM
   TI
   LI
   LO
   TS