General Information of the Compound
Compound ID
CP0458957
Compound Name
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-piperidin-4-yloxypyridine-2-carboxamide
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Structure
Formula
C25H30N6O4
Molecular Weight
478.553
Canonical SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc(OC4CCNCC4)ccn3)cc2)no1
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InChI
InChI=1S/C25H30N6O4/c1-25(2,3)21-15-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-14-19(10-13-27-20)34-18-8-11-26-12-9-18/h4-7,10,13-15,18,26H,8-9,11-12H2,1-3H3,(H,28,32)(H2,29,30,31,33)
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InChIKey
PSABAQPTDYJLPZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3942
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
130.41
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 54589425
SID: 163513018
ChEMBL ID
CHEMBL2203431
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 = 145 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 = 1.8 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 = 1.2 nM
   TI
   LI
   LO
   TS