General Information of the Compound
Compound ID
CP0086292
Compound Name
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
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Structure
Formula
C27H34N6O4
Molecular Weight
506.607
Canonical SMILES
CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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InChI
InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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InChIKey
GVFQHBBRWBJGNU-UHFFFAOYSA-N
Physicochemical Property
logP
5.1265
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
121.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 54761157
SID: 131525266
ChEMBL ID
CHEMBL2203434
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: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6.9 nM
   TI
   LI
   LO
   TS
2
Kd = 0.8 nM
   TI
   LI
   LO
   TS
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 = 41 nM
   TI
   LI
   LO
   TS
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000532 NCI-H526 Homo sapiens (Human)  1
1
IC50 = 7.9 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 0.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000197 MG-63 Homo sapiens (Human)  1
1
IC50 = 6.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 2.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 1.3 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
CL000091 MV4-11 Homo sapiens (Human)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 0.5 nM
   TI
   LI
   LO
   TS